2-[1-[(2-azanyl-7H-purin-6-yl)amino]-2-oxidanyl-ethyl]-5-methyl-3-phenyl-quinazolin-4-one

Systemtic Name: 2-[1-[(2-azanyl-7H-purin-6-yl)amino]-2-oxidanyl-ethyl]-5-methyl-3-phenyl-quinazolin-4-one Openeye Name: 2-[1-[(2-amino-7H-purin-6-yl)amino]-2-hydroxy-ethyl]-5-methyl-3-phenyl-quinazolin-4-one CAS Name: 2-[1-[(2-amino-7H-purin-6-yl)amino]-2-hydroxyethyl]-5-methyl-3-phenyl-4-quinazolinone IUPAC Name: 2-[1-[(2-amino-7H-purin-6-yl)amino]-2-hydroxyethyl]-5-methyl-3-phenylquinazolin-4-one Traditional Name: 2-[1-[(2-amino-7H-purin-6-yl)amino]-2-hydroxy-ethyl]-5-methyl-3-phenyl-quinazolin-4-one Formula: C22H20N8O2 MolecularWeight: 428.4466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3)C(CO)NC4=NC(=NC5=C4NC=N5)N

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3)C(CO)NC4=NC(=NC5=C4NC=N5)N

InChI

InChI=1S/C22H20N8O2/c1-12-6-5-9-14-16(12)21(32)30(13-7-3-2-4-8-13)20(27-14)15(10-31)26-19-17-18(25-11-24-17)28-22(23)29-19/h2-9,11,15,31H,10H2,1H3,(H4,23,24,25,26,28,29)