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

Systemtic Name: propan-2-yl 4-[2-(1H-indol-3-yl)ethylamino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isopropyl 4-[2-(1H-indol-3-yl)ethylamino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-[2-(1H-indol-3-yl)ethylamino]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[2-(1H-indol-3-yl)ethylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-[2-(1H-indol-3-yl)ethylamino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid isopropyl ester Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NCCC3=CNC4=CC=CC=C43)C(=O)OC(C)C

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NCCC3=CNC4=CC=CC=C43)C(=O)OC(C)C

InChI

InChI=1S/C21H22N4O2S/c1-12(2)27-21(26)18-13(3)17-19(24-11-25-20(17)28-18)22-9-8-14-10-23-16-7-5-4-6-15(14)16/h4-7,10-12,23H,8-9H2,1-3H3,(H,22,24,25)