methyl 2-[(2,5-dimethyl-4-piperidin-1-yl-thieno[2,3-d]pyrimidin-6-yl)carbonylamino]benzoate

Systemtic Name: methyl 2-[(2,5-dimethyl-4-piperidin-1-yl-thieno[2,3-d]pyrimidin-6-yl)carbonylamino]benzoate Openeye Name: methyl 2-[[2,5-dimethyl-4-(1-piperidyl)thieno[2,3-d]pyrimidine-6-carbonyl]amino]benzoate CAS Name: 2-[[[2,5-dimethyl-4-(1-piperidinyl)-6-thieno[2,3-d]pyrimidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carbonyl)amino]benzoate Traditional Name: 2-[(2,5-dimethyl-4-piperidino-thieno[2,3-d]pyrimidine-6-carbonyl)amino]benzoic acid methyl ester Formula: C22H24N4O3S MolecularWeight: 424.51596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N3CCCCC3)C)C(=O)NC4=CC=CC=C4C(=O)OC

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N3CCCCC3)C)C(=O)NC4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C22H24N4O3S/c1-13-17-19(26-11-7-4-8-12-26)23-14(2)24-21(17)30-18(13)20(27)25-16-10-6-5-9-15(16)22(28)29-3/h5-6,9-10H,4,7-8,11-12H2,1-3H3,(H,25,27)