3-butyl-7-propyl-8-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)purine-2,6-dione

Systemtic Name: 3-butyl-7-propyl-8-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)purine-2,6-dione Openeye Name: 3-butyl-7-propyl-8-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)purine-2,6-dione CAS Name: 3-butyl-7-propyl-8-[(4-thieno[2,3-d]pyrimidinylthio)methyl]purine-2,6-dione IUPAC Name: 3-butyl-7-propyl-8-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)purine-2,6-dione Traditional Name: 3-butyl-7-propyl-8-[(thieno[2,3-d]pyrimidin-4-ylthio)methyl]xanthine Formula: C19H22N6O2S2 MolecularWeight: 430.54698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CSC3=NC=NC4=C3C=CS4)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CSC3=NC=NC4=C3C=CS4)CCC

InChI

InChI=1S/C19H22N6O2S2/c1-3-5-8-25-15-14(16(26)23-19(25)27)24(7-4-2)13(22-15)10-29-18-12-6-9-28-17(12)20-11-21-18/h6,9,11H,3-5,7-8,10H2,1-2H3,(H,23,26,27)