8-[(E)-2-(3-chlorophenyl)ethenyl]-3,7-dimethyl-1-propyl-purine-2,6-dione

Systemtic Name: 8-[(E)-2-(3-chlorophenyl)ethenyl]-3,7-dimethyl-1-propyl-purine-2,6-dione Openeye Name: 8-[(E)-2-(3-chlorophenyl)vinyl]-3,7-dimethyl-1-propyl-purine-2,6-dione CAS Name: 8-[(E)-2-(3-chlorophenyl)ethenyl]-3,7-dimethyl-1-propylpurine-2,6-dione IUPAC Name: 8-[(E)-2-(3-chlorophenyl)ethenyl]-3,7-dimethyl-1-propylpurine-2,6-dione Traditional Name: 8-[(E)-2-(3-chlorophenyl)vinyl]-3,7-dimethyl-1-propyl-xanthine Formula: C18H19ClN4O2 MolecularWeight: 358.82206

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2C)C=CC3=CC(=CC=C3)Cl)N(C1=O)C

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2C)/C=C/C3=CC(=CC=C3)Cl)N(C1=O)C

InChI

InChI=1S/C18H19ClN4O2/c1-4-10-23-17(24)15-16(22(3)18(23)25)20-14(21(15)2)9-8-12-6-5-7-13(19)11-12/h5-9,11H,4,10H2,1-3H3/b9-8+