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

Systemtic Name: phenethyl 4-[2-(1H-indol-3-yl)ethylamino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 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 phenethyl ester IUPAC Name: phenethyl 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 phenethyl ester Formula: C26H24N4O2S MolecularWeight: 456.55936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NCCC3=CNC4=CC=CC=C43)C(=O)OCCC5=CC=CC=C5

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NCCC3=CNC4=CC=CC=C43)C(=O)OCCC5=CC=CC=C5

InChI

InChI=1S/C26H24N4O2S/c1-17-22-24(27-13-11-19-15-28-21-10-6-5-9-20(19)21)29-16-30-25(22)33-23(17)26(31)32-14-12-18-7-3-2-4-8-18/h2-10,15-16,28H,11-14H2,1H3,(H,27,29,30)