4-(azepan-1-yl)-5-methyl-2-phenyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 4-(azepan-1-yl)-5-methyl-2-phenyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 4-(azepan-1-yl)-5-methyl-2-phenyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(1-azepanyl)-5-methyl-2-phenyl-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 4-(azepan-1-yl)-5-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(azepan-1-yl)-5-methyl-2-phenyl-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C20H20N3O2S- MolecularWeight: 366.4567

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N3CCCCCC3)C4=CC=CC=C4)C(=O)[O-]

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N3CCCCCC3)C4=CC=CC=C4)C(=O)[O-]

InChI

InChI=1S/C20H21N3O2S/c1-13-15-18(23-11-7-2-3-8-12-23)21-17(14-9-5-4-6-10-14)22-19(15)26-16(13)20(24)25/h4-6,9-10H,2-3,7-8,11-12H2,1H3,(H,24,25)/p-1