8-[(4-chlorophenyl)sulfanylmethyl]-3-methyl-7-(3-methylbutyl)purine-2,6-dione

Systemtic Name: 8-[(4-chlorophenyl)sulfanylmethyl]-3-methyl-7-(3-methylbutyl)purine-2,6-dione Openeye Name: 8-[(4-chlorophenyl)sulfanylmethyl]-7-isopentyl-3-methyl-purine-2,6-dione CAS Name: 8-[[(4-chlorophenyl)thio]methyl]-3-methyl-7-(3-methylbutyl)purine-2,6-dione IUPAC Name: 8-[(4-chlorophenyl)sulfanylmethyl]-3-methyl-7-(3-methylbutyl)purine-2,6-dione Traditional Name: 8-[[(4-chlorophenyl)thio]methyl]-7-isoamyl-3-methyl-xanthine Formula: C18H21ClN4O2S MolecularWeight: 392.90294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=NC2=C1C(=O)NC(=O)N2C)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)CCN1C(=NC2=C1C(=O)NC(=O)N2C)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H21ClN4O2S/c1-11(2)8-9-23-14(10-26-13-6-4-12(19)5-7-13)20-16-15(23)17(24)21-18(25)22(16)3/h4-7,11H,8-10H2,1-3H3,(H,21,24,25)