ethyl 4-oxidanylidene-3-phenyl-6-(phenyliminomethylideneamino)-2-piperidin-1-yl-thieno[2,3-d]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-oxidanylidene-3-phenyl-6-(phenyliminomethylideneamino)-2-piperidin-1-yl-thieno[2,3-d]pyrimidine-5-carboxylate Openeye Name: ethyl 4-oxo-3-phenyl-6-(phenyliminomethyleneamino)-2-(1-piperidyl)thieno[2,3-d]pyrimidine-5-carboxylate CAS Name: 4-oxo-3-phenyl-6-(phenyliminomethylideneamino)-2-(1-piperidinyl)-5-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-oxo-3-phenyl-6-(phenyliminomethylideneamino)-2-piperidin-1-ylthieno[2,3-d]pyrimidine-5-carboxylate Traditional Name: 4-keto-3-phenyl-6-(phenyliminomethyleneamino)-2-piperidino-thieno[2,3-d]pyrimidine-5-carboxylic acid ethyl ester Formula: C27H25N5O3S MolecularWeight: 499.5841

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1C(=O)N(C(=N2)N3CCCCC3)C4=CC=CC=C4)N=C=NC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1C(=O)N(C(=N2)N3CCCCC3)C4=CC=CC=C4)N=C=NC5=CC=CC=C5

InChI

InChI=1S/C27H25N5O3S/c1-2-35-26(34)22-21-24(36-23(22)29-18-28-19-12-6-3-7-13-19)30-27(31-16-10-5-11-17-31)32(25(21)33)20-14-8-4-9-15-20/h3-4,6-9,12-15H,2,5,10-11,16-17H2,1H3