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

Systemtic Name: 7-methyl-6-(1-oxidanylbutan-2-ylamino)-8-[(E)-2-phenylethenyl]-3-propyl-purin-2-one Openeye Name: 6-[1-(hydroxymethyl)propylamino]-7-methyl-3-propyl-8-[(E)-styryl]purin-2-one CAS Name: 6-(1-hydroxybutan-2-ylamino)-7-methyl-8-[(E)-2-phenylethenyl]-3-propyl-2-purinone IUPAC Name: 6-(1-hydroxybutan-2-ylamino)-7-methyl-8-[(E)-2-phenylethenyl]-3-propylpurin-2-one Traditional Name: 7-methyl-6-(1-methylolpropylamino)-3-propyl-8-[(E)-styryl]purin-2-one Formula: C21H27N5O2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=NC1=O)NC(CC)CO)N(C(=N2)C=CC3=CC=CC=C3)C

Isomeric SMILES

CCCN1C2=C(C(=NC1=O)NC(CC)CO)N(C(=N2)/C=C/C3=CC=CC=C3)C

InChI

InChI=1S/C21H27N5O2/c1-4-13-26-20-18(19(24-21(26)28)22-16(5-2)14-27)25(3)17(23-20)12-11-15-9-7-6-8-10-15/h6-12,16,27H,4-5,13-14H2,1-3H3,(H,22,24,28)/b12-11+