2-[[(2-azanyl-7H-purin-6-yl)amino]methyl]-5-chloranyl-3-phenyl-quinazolin-4-one

Systemtic Name: 2-[[(2-azanyl-7H-purin-6-yl)amino]methyl]-5-chloranyl-3-phenyl-quinazolin-4-one Openeye Name: 2-[[(2-amino-7H-purin-6-yl)amino]methyl]-5-chloro-3-phenyl-quinazolin-4-one CAS Name: 2-[[(2-amino-7H-purin-6-yl)amino]methyl]-5-chloro-3-phenyl-4-quinazolinone IUPAC Name: 2-[[(2-amino-7H-purin-6-yl)amino]methyl]-5-chloro-3-phenylquinazolin-4-one Traditional Name: 2-[[(2-amino-7H-purin-6-yl)amino]methyl]-5-chloro-3-phenyl-quinazolin-4-one Formula: C20H15ClN8O MolecularWeight: 418.8391

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NC3=C(C2=O)C(=CC=C3)Cl)CNC4=NC(=NC5=C4NC=N5)N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NC3=C(C2=O)C(=CC=C3)Cl)CNC4=NC(=NC5=C4NC=N5)N

InChI

InChI=1S/C20H15ClN8O/c21-12-7-4-8-13-15(12)19(30)29(11-5-2-1-3-6-11)14(26-13)9-23-17-16-18(25-10-24-16)28-20(22)27-17/h1-8,10H,9H2,(H4,22,23,24,25,27,28)