methyl 4-(3-imidazol-1-ylpropylamino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: methyl 4-(3-imidazol-1-ylpropylamino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 4-(3-imidazol-1-ylpropylamino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-[3-(1-imidazolyl)propylamino]-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 4-(3-imidazol-1-ylpropylamino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(3-imidazol-1-ylpropylamino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C16H19N5O2S MolecularWeight: 345.41936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)NCCCN3C=CN=C3)C)C(=O)OC

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)NCCCN3C=CN=C3)C)C(=O)OC

InChI

InChI=1S/C16H19N5O2S/c1-10-12-14(18-5-4-7-21-8-6-17-9-21)19-11(2)20-15(12)24-13(10)16(22)23-3/h6,8-9H,4-5,7H2,1-3H3,(H,18,19,20)