ethyl 3-azanyl-5-methyl-4-oxidanylidene-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylsulfanyl]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 3-azanyl-5-methyl-4-oxidanylidene-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylsulfanyl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 3-amino-5-methyl-4-oxo-2-[3-[4-(2-quinolyl)piperazin-1-yl]propylsulfanyl]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-amino-5-methyl-4-oxo-2-[3-[4-(2-quinolinyl)-1-piperazinyl]propylthio]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-amino-5-methyl-4-oxo-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylsulfanyl]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-amino-4-keto-5-methyl-2-[3-[4-(2-quinolyl)piperazino]propylthio]thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C26H30N6O3S2 MolecularWeight: 538.6848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)N)SCCCN3CCN(CC3)C4=NC5=CC=CC=C5C=C4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)N)SCCCN3CCN(CC3)C4=NC5=CC=CC=C5C=C4)C

InChI

InChI=1S/C26H30N6O3S2/c1-3-35-25(34)22-17(2)21-23(37-22)29-26(32(27)24(21)33)36-16-6-11-30-12-14-31(15-13-30)20-10-9-18-7-4-5-8-19(18)28-20/h4-5,7-10H,3,6,11-16,27H2,1-2H3