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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1SCCCC3=CC=CC=C3)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCN1C2=C(N=C1SCCCC3=CC=CC=C3)N(C(=O)NC2=O)C

InChI

InChI=1S/C20H26N4O2S/c1-3-4-8-13-24-16-17(23(2)19(26)22-18(16)25)21-20(24)27-14-9-12-15-10-6-5-7-11-15/h5-7,10-11H,3-4,8-9,12-14H2,1-2H3,(H,22,25,26)