6-[2-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]-N-phenethyl-hexanamide

Systemtic Name: 6-[2-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]-N-phenethyl-hexanamide Openeye Name: 6-[2-[2-(isopentylamino)-2-oxo-ethyl]sulfanyl-4-oxo-thieno[3,2-d]pyrimidin-3-yl]-N-phenethyl-hexanamide CAS Name: 6-[2-[[2-(3-methylbutylamino)-2-oxoethyl]thio]-4-oxo-3-thieno[3,2-d]pyrimidinyl]-N-phenethylhexanamide IUPAC Name: 6-[2-[2-(3-methylbutylamino)-2-oxoethyl]sulfanyl-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-phenethylhexanamide Traditional Name: 6-[2-[[2-(isoamylamino)-2-keto-ethyl]thio]-4-keto-thieno[3,2-d]pyrimidin-3-yl]-N-phenethyl-hexanamide Formula: C27H36N4O3S2 MolecularWeight: 528.72974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)CSC1=NC2=C(C(=O)N1CCCCCC(=O)NCCC3=CC=CC=C3)SC=C2

Isomeric SMILES

CC(C)CCNC(=O)CSC1=NC2=C(C(=O)N1CCCCCC(=O)NCCC3=CC=CC=C3)SC=C2

InChI

InChI=1S/C27H36N4O3S2/c1-20(2)12-15-29-24(33)19-36-27-30-22-14-18-35-25(22)26(34)31(27)17-8-4-7-11-23(32)28-16-13-21-9-5-3-6-10-21/h3,5-6,9-10,14,18,20H,4,7-8,11-13,15-17,19H2,1-2H3,(H,28,32)(H,29,33)