2-methylpropyl 4-[2-(1H-benzimidazol-2-yl)ethylamino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 2-methylpropyl 4-[2-(1H-benzimidazol-2-yl)ethylamino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isobutyl 4-[2-(1H-benzimidazol-2-yl)ethylamino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-[2-(1H-benzimidazol-2-yl)ethylamino]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[2-(1H-benzimidazol-2-yl)ethylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-[2-(1H-benzimidazol-2-yl)ethylamino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid isobutyl ester Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NCCC3=NC4=CC=CC=C4N3)C(=O)OCC(C)C

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NCCC3=NC4=CC=CC=C4N3)C(=O)OCC(C)C

InChI

InChI=1S/C21H23N5O2S/c1-12(2)10-28-21(27)18-13(3)17-19(23-11-24-20(17)29-18)22-9-8-16-25-14-6-4-5-7-15(14)26-16/h4-7,11-12H,8-10H2,1-3H3,(H,25,26)(H,22,23,24)