4-[(3-chloranyl-4-oxidanyl-phenyl)amino]-N-(1-methylpiperidin-4-yl)thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 4-[(3-chloranyl-4-oxidanyl-phenyl)amino]-N-(1-methylpiperidin-4-yl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 4-(3-chloro-4-hydroxy-anilino)-N-(1-methyl-4-piperidyl)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 4-(3-chloro-4-hydroxyanilino)-N-(1-methyl-4-piperidinyl)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 4-(3-chloro-4-hydroxyanilino)-N-(1-methylpiperidin-4-yl)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 4-(3-chloro-4-hydroxy-anilino)-N-(1-methyl-4-piperidyl)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C19H20ClN5O2S MolecularWeight: 417.9124

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)NC(=O)C2=CC3=C(N=CN=C3S2)NC4=CC(=C(C=C4)O)Cl

Isomeric SMILES

CN1CCC(CC1)NC(=O)C2=CC3=C(N=CN=C3S2)NC4=CC(=C(C=C4)O)Cl

InChI

InChI=1S/C19H20ClN5O2S/c1-25-6-4-11(5-7-25)24-18(27)16-9-13-17(21-10-22-19(13)28-16)23-12-2-3-15(26)14(20)8-12/h2-3,8-11,26H,4-7H2,1H3,(H,24,27)(H,21,22,23)