2-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-ethyl-3-(3-methoxypropyl)thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-ethyl-3-(3-methoxypropyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-ethyl-2-(2-indolin-1-yl-2-oxo-ethyl)sulfanyl-3-(3-methoxypropyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thio]-6-ethyl-3-(3-methoxypropyl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-6-ethyl-3-(3-methoxypropyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-ethyl-2-[(2-indolin-1-yl-2-keto-ethyl)thio]-3-(3-methoxypropyl)thieno[2,3-d]pyrimidin-4-one Formula: C22H25N3O3S2 MolecularWeight: 443.5822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=C(N(C2=O)CCCOC)SCC(=O)N3CCC4=CC=CC=C43

Isomeric SMILES

CCC1=CC2=C(S1)N=C(N(C2=O)CCCOC)SCC(=O)N3CCC4=CC=CC=C43

InChI

InChI=1S/C22H25N3O3S2/c1-3-16-13-17-20(30-16)23-22(25(21(17)27)10-6-12-28-2)29-14-19(26)24-11-9-15-7-4-5-8-18(15)24/h4-5,7-8,13H,3,6,9-12,14H2,1-2H3