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131194-19-9 | 2,4(1H,3H)-PYRIMIDINEDIONE, 1-[(2-HYDROXYETHOXY)METHYL]-5-METHYL-6-[(1Z)-2-PHENYLETHENYL]-
CAS No: 131194-19-9 Catalog No: AG000VPF MDL No:
Product Description
Catalog Number:
AG000VPF
Chemical Name:
2,4(1H,3H)-PYRIMIDINEDIONE, 1-[(2-HYDROXYETHOXY)METHYL]-5-METHYL-6-[(1Z)-2-PHENYLETHENYL]-
CAS Number:
131194-19-9
Molecular Formula:
C16H18N2O4
Molecular Weight:
302.3251
IUPAC Name:
1-(2-hydroxyethoxymethyl)-5-methyl-6-[(Z)-2-phenylethenyl]pyrimidine-2,4-dione
InChI:
InChI=1S/C16H18N2O4/c1-12-14(8-7-13-5-3-2-4-6-13)18(11-22-10-9-19)16(21)17-15(12)20/h2-8,19H,9-11H2,1H3,(H,17,20,21)/b8-7-
InChI Key:
GRMHFNIUCCXKAG-FPLPWBNLSA-N
SMILES:
OCCOCn1c(=O)[nH]c(=O)c(c1/C=C\c1ccccc1)C
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
302.127g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
302.33g/mol
Monoisotopic Mass:
302.127g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| A new class of HIV-1-specific 6-substituted acyclouridine derivatives: synthesis and anti-HIV-1 activity of 5- or 6-substituted analogues of 1-[(2-hydroxyethoxy)methyl]-6-(phenylthio)thymine (HEPT). | Journal of medicinal chemistry 19910101 |
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