ethyl 4-[[2-(dimethylamino)pyridin-4-yl]methylamino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 4-[[2-(dimethylamino)pyridin-4-yl]methylamino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-[[2-(dimethylamino)-4-pyridyl]methylamino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-[[2-(dimethylamino)-4-pyridinyl]methylamino]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(dimethylamino)pyridin-4-yl]methylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-[[2-(dimethylamino)-4-pyridyl]methylamino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C18H21N5O2S MolecularWeight: 371.45664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=CN=C2S1)NCC3=CC(=NC=C3)N(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=CN=C2S1)NCC3=CC(=NC=C3)N(C)C)C

InChI

InChI=1S/C18H21N5O2S/c1-5-25-18(24)15-11(2)14-16(21-10-22-17(14)26-15)20-9-12-6-7-19-13(8-12)23(3)4/h6-8,10H,5,9H2,1-4H3,(H,20,21,22)