3-methyl-7-(3-methylbutyl)-8-(3-phenylpropylsulfanyl)purine-2,6-dione

Systemtic Name: 3-methyl-7-(3-methylbutyl)-8-(3-phenylpropylsulfanyl)purine-2,6-dione Openeye Name: 7-isopentyl-3-methyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione CAS Name: 3-methyl-7-(3-methylbutyl)-8-(3-phenylpropylthio)purine-2,6-dione IUPAC Name: 3-methyl-7-(3-methylbutyl)-8-(3-phenylpropylsulfanyl)purine-2,6-dione Traditional Name: 7-isoamyl-3-methyl-8-(3-phenylpropylthio)xanthine Formula: C20H26N4O2S MolecularWeight: 386.51104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(N=C1SCCCC3=CC=CC=C3)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)CCN1C2=C(N=C1SCCCC3=CC=CC=C3)N(C(=O)NC2=O)C

InChI

InChI=1S/C20H26N4O2S/c1-14(2)11-12-24-16-17(23(3)19(26)22-18(16)25)21-20(24)27-13-7-10-15-8-5-4-6-9-15/h4-6,8-9,14H,7,10-13H2,1-3H3,(H,22,25,26)