2-[(6-aminopurin-9-yl)methyl]-3-(6-chloranylpyridin-3-yl)-5-methyl-quinazolin-4-one

Systemtic Name: 2-[(6-aminopurin-9-yl)methyl]-3-(6-chloranylpyridin-3-yl)-5-methyl-quinazolin-4-one Openeye Name: 2-[(6-aminopurin-9-yl)methyl]-3-(6-chloro-3-pyridyl)-5-methyl-quinazolin-4-one CAS Name: 2-[(6-aminopurin-9-yl)methyl]-3-(6-chloro-3-pyridinyl)-5-methyl-4-quinazolinone IUPAC Name: 2-[(6-aminopurin-9-yl)methyl]-3-(6-chloropyridin-3-yl)-5-methylquinazolin-4-one Traditional Name: 2-(adenin-9-ylmethyl)-3-(6-chloro-3-pyridyl)-5-methyl-quinazolin-4-one Formula: C20H15ClN8O MolecularWeight: 418.8391

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CN=C(C=C3)Cl)CN4C=NC5=C4N=CN=C5N

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CN=C(C=C3)Cl)CN4C=NC5=C4N=CN=C5N

InChI

InChI=1S/C20H15ClN8O/c1-11-3-2-4-13-16(11)20(30)29(12-5-6-14(21)23-7-12)15(27-13)8-28-10-26-17-18(22)24-9-25-19(17)28/h2-7,9-10H,8H2,1H3,(H2,22,24,25)