4-[(3-chlorophenyl)-methyl-amino]-N-(1-methylpiperidin-4-yl)thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 4-[(3-chlorophenyl)-methyl-amino]-N-(1-methylpiperidin-4-yl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 4-(3-chloro-N-methyl-anilino)-N-(1-methyl-4-piperidyl)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 4-(3-chloro-N-methylanilino)-N-(1-methyl-4-piperidinyl)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 4-(3-chloro-N-methylanilino)-N-(1-methylpiperidin-4-yl)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 4-(3-chloro-N-methyl-anilino)-N-(1-methyl-4-piperidyl)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C20H22ClN5OS MolecularWeight: 415.93958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN5OS/c1-25-8-6-14(7-9-25)24-19(27)17-11-16-18(22-12-23-20(16)28-17)26(2)15-5-3-4-13(21)10-15/h3-5,10-12,14H,6-9H2,1-2H3,(H,24,27)