3-methyl-6-(1-oxidanylbutan-2-ylamino)-8-[(E)-2-phenylethenyl]-7H-purin-2-one

Systemtic Name: 3-methyl-6-(1-oxidanylbutan-2-ylamino)-8-[(E)-2-phenylethenyl]-7H-purin-2-one Openeye Name: 6-[1-(hydroxymethyl)propylamino]-3-methyl-8-[(E)-styryl]-7H-purin-2-one CAS Name: 6-(1-hydroxybutan-2-ylamino)-3-methyl-8-[(E)-2-phenylethenyl]-7H-purin-2-one IUPAC Name: 6-(1-hydroxybutan-2-ylamino)-3-methyl-8-[(E)-2-phenylethenyl]-7H-purin-2-one Traditional Name: 3-methyl-6-(1-methylolpropylamino)-8-[(E)-styryl]-7H-purin-2-one Formula: C18H21N5O2 MolecularWeight: 339.39164

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC1=NC(=O)N(C2=C1NC(=N2)C=CC3=CC=CC=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O2/c1-3-13(11-24)19-16-15-17(23(2)18(25)22-16)21-14(20-15)10-9-12-7-5-4-6-8-12/h4-10,13,24H,3,11H2,1-2H3,(H,20,21)(H,19,22,25)/b10-9+