1-[(4-chlorophenyl)methyl]-3-ethyl-8-propan-2-yl-6-sulfanylidene-7H-purin-2-one

Systemtic Name: 1-[(4-chlorophenyl)methyl]-3-ethyl-8-propan-2-yl-6-sulfanylidene-7H-purin-2-one Openeye Name: 1-[(4-chlorophenyl)methyl]-3-ethyl-8-isopropyl-6-thioxo-7H-purin-2-one CAS Name: 1-[(4-chlorophenyl)methyl]-3-ethyl-8-propan-2-yl-6-sulfanylidene-7H-purin-2-one IUPAC Name: 1-[(4-chlorophenyl)methyl]-3-ethyl-8-propan-2-yl-6-sulfanylidene-7H-purin-2-one Traditional Name: 1-(4-chlorobenzyl)-3-ethyl-8-isopropyl-6-thioxo-7H-purin-2-one Formula: C17H19ClN4OS MolecularWeight: 362.87696

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=S)N(C1=O)CC3=CC=C(C=C3)Cl)NC(=N2)C(C)C

Isomeric SMILES

CCN1C2=C(C(=S)N(C1=O)CC3=CC=C(C=C3)Cl)NC(=N2)C(C)C

InChI

InChI=1S/C17H19ClN4OS/c1-4-21-15-13(19-14(20-15)10(2)3)16(24)22(17(21)23)9-11-5-7-12(18)8-6-11/h5-8,10H,4,9H2,1-3H3,(H,19,20)