2-methylpropyl 4-[[4-(diethylamino)phenyl]amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 2-methylpropyl 4-[[4-(diethylamino)phenyl]amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isobutyl 4-[4-(diethylamino)anilino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-[4-(diethylamino)anilino]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[4-(diethylamino)anilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-[4-(diethylamino)anilino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid isobutyl ester Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)NC2=C3C(=C(SC3=NC=N2)C(=O)OCC(C)C)C

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)NC2=C3C(=C(SC3=NC=N2)C(=O)OCC(C)C)C

InChI

InChI=1S/C22H28N4O2S/c1-6-26(7-2)17-10-8-16(9-11-17)25-20-18-15(5)19(22(27)28-12-14(3)4)29-21(18)24-13-23-20/h8-11,13-14H,6-7,12H2,1-5H3,(H,23,24,25)