5-butyl-3-methyl-2-[(E)-2-phenylethenyl]-8,9-dihydro-7H-pyrimido[2,1-b]purin-4-one

Systemtic Name: 5-butyl-3-methyl-2-[(E)-2-phenylethenyl]-8,9-dihydro-7H-pyrimido[2,1-b]purin-4-one Openeye Name: 5-butyl-3-methyl-2-[(E)-styryl]-8,9-dihydro-7H-pyrimido[2,1-b]purin-4-one CAS Name: 5-butyl-3-methyl-2-[(E)-2-phenylethenyl]-8,9-dihydro-7H-pyrimido[2,1-b]purin-4-one IUPAC Name: 5-butyl-3-methyl-2-[(E)-2-phenylethenyl]-8,9-dihydro-7H-pyrimido[2,1-b]purin-4-one Traditional Name: 5-butyl-3-methyl-2-[(E)-styryl]-8,9-dihydro-7H-pyrimido[2,1-b]purin-4-one Formula: C21H25N5O MolecularWeight: 363.4561

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=C(N2C)C=CC3=CC=CC=C3)N4C1=NCCC4

Isomeric SMILES

CCCCN1C(=O)C2=C(N=C(N2C)/C=C/C3=CC=CC=C3)N4C1=NCCC4

InChI

InChI=1S/C21H25N5O/c1-3-4-14-26-20(27)18-19(25-15-8-13-22-21(25)26)23-17(24(18)2)12-11-16-9-6-5-7-10-16/h5-7,9-12H,3-4,8,13-15H2,1-2H3/b12-11+