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

Systemtic Name: methyl 2-[(5-methyl-4-piperidin-1-yl-thieno[2,3-d]pyrimidin-6-yl)carbonylamino]benzoate Openeye Name: methyl 2-[[5-methyl-4-(1-piperidyl)thieno[2,3-d]pyrimidine-6-carbonyl]amino]benzoate CAS Name: 2-[[[5-methyl-4-(1-piperidinyl)-6-thieno[2,3-d]pyrimidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(5-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carbonyl)amino]benzoate Traditional Name: 2-[(5-methyl-4-piperidino-thieno[2,3-d]pyrimidine-6-carbonyl)amino]benzoic acid methyl ester Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O3S/c1-13-16-18(25-10-6-3-7-11-25)22-12-23-20(16)29-17(13)19(26)24-15-9-5-4-8-14(15)21(27)28-2/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3,(H,24,26)