6-butyl-3-phenethyl-5-(pyridin-4-ylmethylsulfanyl)-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one

Systemtic Name: 6-butyl-3-phenethyl-5-(pyridin-4-ylmethylsulfanyl)-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one Openeye Name: 6-butyl-3-phenethyl-5-(4-pyridylmethylsulfanyl)-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one CAS Name: 6-butyl-3-phenethyl-5-(pyridin-4-ylmethylthio)-2-sulfanylidene-7-thiazolo[4,5-d]pyrimidinone IUPAC Name: 6-butyl-3-phenethyl-5-(pyridin-4-ylmethylsulfanyl)-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one Traditional Name: 6-butyl-3-phenethyl-5-(4-pyridylmethylthio)-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one Formula: C23H24N4OS3 MolecularWeight: 468.65786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=C1SCC3=CC=NC=C3)N(C(=S)S2)CCC4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=O)C2=C(N=C1SCC3=CC=NC=C3)N(C(=S)S2)CCC4=CC=CC=C4

InChI

InChI=1S/C23H24N4OS3/c1-2-3-14-27-21(28)19-20(25-22(27)30-16-18-9-12-24-13-10-18)26(23(29)31-19)15-11-17-7-5-4-6-8-17/h4-10,12-13H,2-3,11,14-16H2,1H3