ethyl 1-[5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[5-methyl-4-(4-methyl-1-piperazinyl)-6-thieno[2,3-d]pyrimidinyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[5-methyl-4-(4-methylpiperazino)thieno[2,3-d]pyrimidine-6-carbonyl]nipecotic acid ethyl ester Formula: C21H29N5O3S MolecularWeight: 431.55166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=C(C3=C(N=CN=C3S2)N4CCN(CC4)C)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=C(C3=C(N=CN=C3S2)N4CCN(CC4)C)C

InChI

InChI=1S/C21H29N5O3S/c1-4-29-21(28)15-6-5-7-26(12-15)20(27)17-14(2)16-18(22-13-23-19(16)30-17)25-10-8-24(3)9-11-25/h13,15H,4-12H2,1-3H3