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

Systemtic Name: 3-methyl-7-phenethyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione Openeye Name: 3-methyl-7-phenethyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione CAS Name: 3-methyl-7-phenethyl-8-(3-phenylpropylthio)purine-2,6-dione IUPAC Name: 3-methyl-7-phenethyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione Traditional Name: 3-methyl-7-phenethyl-8-(3-phenylpropylthio)xanthine Formula: C23H24N4O2S MolecularWeight: 420.52726

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCCC3=CC=CC=C3)CCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCCC3=CC=CC=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C23H24N4O2S/c1-26-20-19(21(28)25-22(26)29)27(15-14-18-11-6-3-7-12-18)23(24-20)30-16-8-13-17-9-4-2-5-10-17/h2-7,9-12H,8,13-16H2,1H3,(H,25,28,29)