3-methyl-7-(3-phenylpropyl)-8-pyrimidin-2-ylsulfanyl-purine-2,6-dione

Systemtic Name: 3-methyl-7-(3-phenylpropyl)-8-pyrimidin-2-ylsulfanyl-purine-2,6-dione Openeye Name: 3-methyl-7-(3-phenylpropyl)-8-pyrimidin-2-ylsulfanyl-purine-2,6-dione CAS Name: 3-methyl-7-(3-phenylpropyl)-8-(2-pyrimidinylthio)purine-2,6-dione IUPAC Name: 3-methyl-7-(3-phenylpropyl)-8-pyrimidin-2-ylsulfanylpurine-2,6-dione Traditional Name: 3-methyl-7-(3-phenylpropyl)-8-(2-pyrimidylthio)xanthine Formula: C19H18N6O2S MolecularWeight: 394.45022

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SC3=NC=CC=N3)CCCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SC3=NC=CC=N3)CCCC4=CC=CC=C4

InChI

InChI=1S/C19H18N6O2S/c1-24-15-14(16(26)23-18(24)27)25(12-5-9-13-7-3-2-4-8-13)19(22-15)28-17-20-10-6-11-21-17/h2-4,6-8,10-11H,5,9,12H2,1H3,(H,23,26,27)