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

Systemtic Name: 2-[[(2-azanyl-7H-purin-6-yl)amino]methyl]-5-methyl-3-phenyl-quinazolin-4-one Openeye Name: 2-[[(2-amino-7H-purin-6-yl)amino]methyl]-5-methyl-3-phenyl-quinazolin-4-one CAS Name: 2-[[(2-amino-7H-purin-6-yl)amino]methyl]-5-methyl-3-phenyl-4-quinazolinone IUPAC Name: 2-[[(2-amino-7H-purin-6-yl)amino]methyl]-5-methyl-3-phenylquinazolin-4-one Traditional Name: 2-[[(2-amino-7H-purin-6-yl)amino]methyl]-5-methyl-3-phenyl-quinazolin-4-one Formula: C21H18N8O MolecularWeight: 398.42062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3)CNC4=NC(=NC5=C4NC=N5)N

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3)CNC4=NC(=NC5=C4NC=N5)N

InChI

InChI=1S/C21H18N8O/c1-12-6-5-9-14-16(12)20(30)29(13-7-3-2-4-8-13)15(26-14)10-23-18-17-19(25-11-24-17)28-21(22)27-18/h2-9,11H,10H2,1H3,(H4,22,23,24,25,27,28)