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

Systemtic Name: methyl 5-methyl-2-[[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]methyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 2-[[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-yl]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-[[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazino]methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C22H28N6O3S MolecularWeight: 456.56112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)CC3=NC4=C(C(=C(S4)C(=O)OC)C)C(=O)N3

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)CC3=NC4=C(C(=C(S4)C(=O)OC)C)C(=O)N3

InChI

InChI=1S/C22H28N6O3S/c1-12(2)19-23-13(3)10-16(26-19)28-8-6-27(7-9-28)11-15-24-20(29)17-14(4)18(22(30)31-5)32-21(17)25-15/h10,12H,6-9,11H2,1-5H3,(H,24,25,29)