ethyl 4-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[1-(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)-4-piperidinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)isonipecotoyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H29N5O3S MolecularWeight: 431.55166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)C3=C4C(=C(SC4=NC=N3)C)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)C3=C4C(=C(SC4=NC=N3)C)C

InChI

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