7-[2-(3-chlorophenyl)-2-oxidanylidene-ethyl]-3-(3-methoxyphenyl)-1-prop-2-enyl-purine-2,6-dione

Systemtic Name: 7-[2-(3-chlorophenyl)-2-oxidanylidene-ethyl]-3-(3-methoxyphenyl)-1-prop-2-enyl-purine-2,6-dione Openeye Name: 1-allyl-7-[2-(3-chlorophenyl)-2-oxo-ethyl]-3-(3-methoxyphenyl)purine-2,6-dione CAS Name: 7-[2-(3-chlorophenyl)-2-oxoethyl]-3-(3-methoxyphenyl)-1-prop-2-enylpurine-2,6-dione IUPAC Name: 7-[2-(3-chlorophenyl)-2-oxoethyl]-3-(3-methoxyphenyl)-1-prop-2-enylpurine-2,6-dione Traditional Name: 1-allyl-7-[2-(3-chlorophenyl)-2-keto-ethyl]-3-(3-methoxyphenyl)xanthine Formula: C23H19ClN4O4 MolecularWeight: 450.87436

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C3=C(C(=O)N(C2=O)CC=C)N(C=N3)CC(=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

COC1=CC=CC(=C1)N2C3=C(C(=O)N(C2=O)CC=C)N(C=N3)CC(=O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C23H19ClN4O4/c1-3-10-27-22(30)20-21(28(23(27)31)17-8-5-9-18(12-17)32-2)25-14-26(20)13-19(29)15-6-4-7-16(24)11-15/h3-9,11-12,14H,1,10,13H2,2H3