1-butyl-2-chloranyl-7-methyl-8-[(E)-2-phenylethenyl]purin-6-one

Systemtic Name: 1-butyl-2-chloranyl-7-methyl-8-[(E)-2-phenylethenyl]purin-6-one Openeye Name: 1-butyl-2-chloro-7-methyl-8-[(E)-styryl]purin-6-one CAS Name: 1-butyl-2-chloro-7-methyl-8-[(E)-2-phenylethenyl]-6-purinone IUPAC Name: 1-butyl-2-chloro-7-methyl-8-[(E)-2-phenylethenyl]purin-6-one Traditional Name: 1-butyl-2-chloro-7-methyl-8-[(E)-styryl]purin-6-one Formula: C18H19ClN4O MolecularWeight: 342.82266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=C(N2C)C=CC3=CC=CC=C3)N=C1Cl

Isomeric SMILES

CCCCN1C(=O)C2=C(N=C(N2C)/C=C/C3=CC=CC=C3)N=C1Cl

InChI

InChI=1S/C18H19ClN4O/c1-3-4-12-23-17(24)15-16(21-18(23)19)20-14(22(15)2)11-10-13-8-6-5-7-9-13/h5-11H,3-4,12H2,1-2H3/b11-10+