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150450-00-3 | 4-Quinazolinamine, N-(1,3-benzodioxol-5-ylmethyl)-6,7,8-trimethoxy-
CAS No: 150450-00-3 Catalog No: AG001MMU MDL No:
Product Description
Catalog Number:
AG001MMU
Chemical Name:
4-Quinazolinamine, N-(1,3-benzodioxol-5-ylmethyl)-6,7,8-trimethoxy-
CAS Number:
150450-00-3
Molecular Formula:
C19H19N3O5
Molecular Weight:
369.3713
IUPAC Name:
N-(1,3-benzodioxol-5-ylmethyl)-6,7,8-trimethoxyquinazolin-4-amine
InChI:
InChI=1S/C19H19N3O5/c1-23-15-7-12-16(18(25-3)17(15)24-2)21-9-22-19(12)20-8-11-4-5-13-14(6-11)27-10-26-13/h4-7,9H,8,10H2,1-3H3,(H,20,21,22)
InChI Key:
OTQULNJSJQEICR-UHFFFAOYSA-N
SMILES:
COc1cc2c(ncnc2c(c1OC)OC)NCc1ccc2c(c1)OCO2
Properties
Complexity:
484
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.132g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
369.377g/mol
Monoisotopic Mass:
369.132g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
84A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Role of cyclic nucleotides in vasodilations of the rat thoracic aorta induced by adenosine analogues. | British journal of pharmacology 20010701 |
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