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

Systemtic Name: 3,7-dimethyl-6-(1-oxidanylbutan-2-ylamino)-8-[(E)-2-phenylethenyl]purin-2-one Openeye Name: 6-[1-(hydroxymethyl)propylamino]-3,7-dimethyl-8-[(E)-styryl]purin-2-one CAS Name: 6-(1-hydroxybutan-2-ylamino)-3,7-dimethyl-8-[(E)-2-phenylethenyl]-2-purinone IUPAC Name: 6-(1-hydroxybutan-2-ylamino)-3,7-dimethyl-8-[(E)-2-phenylethenyl]purin-2-one Traditional Name: 3,7-dimethyl-6-(1-methylolpropylamino)-8-[(E)-styryl]purin-2-one Formula: C19H23N5O2 MolecularWeight: 353.41822

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC1=NC(=O)N(C2=C1N(C(=N2)C=CC3=CC=CC=C3)C)C

Isomeric SMILES

CCC(CO)NC1=NC(=O)N(C2=C1N(C(=N2)/C=C/C3=CC=CC=C3)C)C

InChI

InChI=1S/C19H23N5O2/c1-4-14(12-25)20-17-16-18(24(3)19(26)22-17)21-15(23(16)2)11-10-13-8-6-5-7-9-13/h5-11,14,25H,4,12H2,1-3H3,(H,20,22,26)/b11-10+