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17399-40-5 | Benzamide, N-[3-(2-amino-1,6-dihydro-4-methyl-6-oxo-5-pyrimidinyl)propyl]-3-nitro-
CAS No: 17399-40-5 Catalog No: AG001ZCN MDL No:
Product Description
Catalog Number:
AG001ZCN
Chemical Name:
Benzamide, N-[3-(2-amino-1,6-dihydro-4-methyl-6-oxo-5-pyrimidinyl)propyl]-3-nitro-
CAS Number:
17399-40-5
Molecular Formula:
C15H17N5O4
Molecular Weight:
331.3266
IUPAC Name:
N-[3-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)propyl]-3-nitrobenzamide
InChI:
InChI=1S/C15H17N5O4/c1-9-12(14(22)19-15(16)18-9)6-3-7-17-13(21)10-4-2-5-11(8-10)20(23)24/h2,4-5,8H,3,6-7H2,1H3,(H,17,21)(H3,16,18,19,22)
InChI Key:
UAOACRXSRXTEHP-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)[N+](=O)[O-])NCCCc1c(C)nc([nH]c1=O)N
NSC Number:
211188
Properties
Complexity:
593
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.128g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
331.332g/mol
Monoisotopic Mass:
331.128g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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