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

Systemtic Name: 8-[(E)-2-(3-chlorophenyl)ethenyl]-7-methyl-3-propyl-1-prop-2-ynyl-purine-2,6-dione Openeye Name: 8-[(E)-2-(3-chlorophenyl)vinyl]-7-methyl-3-propyl-1-prop-2-ynyl-purine-2,6-dione CAS Name: 8-[(E)-2-(3-chlorophenyl)ethenyl]-7-methyl-3-propyl-1-prop-2-ynylpurine-2,6-dione IUPAC Name: 8-[(E)-2-(3-chlorophenyl)ethenyl]-7-methyl-3-propyl-1-prop-2-ynylpurine-2,6-dione Traditional Name: 8-[(E)-2-(3-chlorophenyl)vinyl]-7-methyl-1-propargyl-3-propyl-xanthine Formula: C20H19ClN4O2 MolecularWeight: 382.84346

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CC#C)N(C(=N2)C=CC3=CC(=CC=C3)Cl)C

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CC#C)N(C(=N2)/C=C/C3=CC(=CC=C3)Cl)C

InChI

InChI=1S/C20H19ClN4O2/c1-4-11-24-18-17(19(26)25(12-5-2)20(24)27)23(3)16(22-18)10-9-14-7-6-8-15(21)13-14/h2,6-10,13H,4,11-12H2,1,3H3/b10-9+