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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=S)C2=C(N=C(N2)C(C)C)N(C1=O)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCN1C(=S)C2=C(N=C(N2)C(C)C)N(C1=O)CC3=CC=C(C=C3)Cl

InChI

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