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

Systemtic Name: 8-[(E)-2-(3-chlorophenyl)ethenyl]-7-methyl-1-prop-2-ynyl-3H-purine-2,6-dione Openeye Name: 8-[(E)-2-(3-chlorophenyl)vinyl]-7-methyl-1-prop-2-ynyl-3H-purine-2,6-dione CAS Name: 8-[(E)-2-(3-chlorophenyl)ethenyl]-7-methyl-1-prop-2-ynyl-3H-purine-2,6-dione IUPAC Name: 8-[(E)-2-(3-chlorophenyl)ethenyl]-7-methyl-1-prop-2-ynyl-3H-purine-2,6-dione Traditional Name: 8-[(E)-2-(3-chlorophenyl)vinyl]-7-methyl-1-propargyl-xanthine Formula: C17H13ClN4O2 MolecularWeight: 340.76372

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1C(=O)N(C(=O)N2)CC#C)C=CC3=CC(=CC=C3)Cl

Isomeric SMILES

CN1C(=NC2=C1C(=O)N(C(=O)N2)CC#C)/C=C/C3=CC(=CC=C3)Cl

InChI

InChI=1S/C17H13ClN4O2/c1-3-9-22-16(23)14-15(20-17(22)24)19-13(21(14)2)8-7-11-5-4-6-12(18)10-11/h1,4-8,10H,9H2,2H3,(H,20,24)/b8-7+