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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)N(C1=O)CC#C)NC(=N2)C=CC3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C)CN1C2=C(C(=O)N(C1=O)CC#C)NC(=N2)/C=C/C3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H19ClN4O2/c1-4-10-24-19(26)17-18(25(20(24)27)12-13(2)3)23-16(22-17)9-8-14-6-5-7-15(21)11-14/h1,5-9,11,13H,10,12H2,2-3H3,(H,22,23)/b9-8+