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

Systemtic Name: 2-[[(2-azanyl-7H-purin-6-yl)amino]methyl]-3-(2-hydroxyphenyl)-5-methyl-quinazolin-4-one Openeye Name: 2-[[(2-amino-7H-purin-6-yl)amino]methyl]-3-(2-hydroxyphenyl)-5-methyl-quinazolin-4-one CAS Name: 2-[[(2-amino-7H-purin-6-yl)amino]methyl]-3-(2-hydroxyphenyl)-5-methyl-4-quinazolinone IUPAC Name: 2-[[(2-amino-7H-purin-6-yl)amino]methyl]-3-(2-hydroxyphenyl)-5-methylquinazolin-4-one Traditional Name: 2-[[(2-amino-7H-purin-6-yl)amino]methyl]-3-(2-hydroxyphenyl)-5-methyl-quinazolin-4-one Formula: C21H18N8O2 MolecularWeight: 414.42002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3O)CNC4=NC(=NC5=C4NC=N5)N

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3O)CNC4=NC(=NC5=C4NC=N5)N

InChI

InChI=1S/C21H18N8O2/c1-11-5-4-6-12-16(11)20(31)29(13-7-2-3-8-14(13)30)15(26-12)9-23-18-17-19(25-10-24-17)28-21(22)27-18/h2-8,10,30H,9H2,1H3,(H4,22,23,24,25,27,28)