3-(3-chlorophenyl)-8-propan-2-yl-6-sulfanylidene-7H-purin-2-one

Systemtic Name: 3-(3-chlorophenyl)-8-propan-2-yl-6-sulfanylidene-7H-purin-2-one Openeye Name: 3-(3-chlorophenyl)-8-isopropyl-6-thioxo-7H-purin-2-one CAS Name: 3-(3-chlorophenyl)-8-propan-2-yl-6-sulfanylidene-7H-purin-2-one IUPAC Name: 3-(3-chlorophenyl)-8-propan-2-yl-6-sulfanylidene-7H-purin-2-one Traditional Name: 3-(3-chlorophenyl)-8-isopropyl-6-thioxo-7H-purin-2-one Formula: C14H13ClN4OS MolecularWeight: 320.79722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(N1)C(=S)NC(=O)N2C3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C)C1=NC2=C(N1)C(=S)NC(=O)N2C3=CC(=CC=C3)Cl

InChI

InChI=1S/C14H13ClN4OS/c1-7(2)11-16-10-12(17-11)19(14(20)18-13(10)21)9-5-3-4-8(15)6-9/h3-7H,1-2H3,(H,16,17)(H,18,20,21)