3-methyl-6-(1-oxidanylbutan-2-ylamino)-8-phenyl-7H-purin-2-one

Systemtic Name: 3-methyl-6-(1-oxidanylbutan-2-ylamino)-8-phenyl-7H-purin-2-one Openeye Name: 6-[1-(hydroxymethyl)propylamino]-3-methyl-8-phenyl-7H-purin-2-one CAS Name: 6-(1-hydroxybutan-2-ylamino)-3-methyl-8-phenyl-7H-purin-2-one IUPAC Name: 6-(1-hydroxybutan-2-ylamino)-3-methyl-8-phenyl-7H-purin-2-one Traditional Name: 3-methyl-6-(1-methylolpropylamino)-8-phenyl-7H-purin-2-one Formula: C16H19N5O2 MolecularWeight: 313.35436

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC1=NC(=O)N(C2=C1NC(=N2)C3=CC=CC=C3)C

Isomeric SMILES

CCC(CO)NC1=NC(=O)N(C2=C1NC(=N2)C3=CC=CC=C3)C

InChI

InChI=1S/C16H19N5O2/c1-3-11(9-22)17-14-12-15(21(2)16(23)20-14)19-13(18-12)10-7-5-4-6-8-10/h4-8,11,22H,3,9H2,1-2H3,(H,18,19)(H,17,20,23)