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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)N3CCCCCC3)C(=O)NC4=CC=CC=C4C(=O)OC

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)N3CCCCCC3)C(=O)NC4=CC=CC=C4C(=O)OC

InChI

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