2-methylpropyl 4-(1,4-diazepan-1-yl)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 2-methylpropyl 4-(1,4-diazepan-1-yl)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isobutyl 4-(1,4-diazepan-1-yl)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(1,4-diazepan-1-yl)-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-(1,4-diazepan-1-yl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(1,4-diazepan-1-yl)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid isobutyl ester Formula: C18H26N4O2S MolecularWeight: 362.48964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N3CCCNCC3)C)C(=O)OCC(C)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N3CCCNCC3)C)C(=O)OCC(C)C

InChI

InChI=1S/C18H26N4O2S/c1-11(2)10-24-18(23)15-12(3)14-16(20-13(4)21-17(14)25-15)22-8-5-6-19-7-9-22/h11,19H,5-10H2,1-4H3