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

Systemtic Name: 4-[(3-ethynylphenyl)amino]-N-(1-methylpiperidin-4-yl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 4-(3-ethynylanilino)-N-(1-methyl-4-piperidyl)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 4-(3-ethynylanilino)-N-(1-methyl-4-piperidinyl)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 4-(3-ethynylanilino)-N-(1-methylpiperidin-4-yl)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 4-(3-ethynylanilino)-N-(1-methyl-4-piperidyl)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5OS/c1-3-14-5-4-6-16(11-14)24-19-17-12-18(28-21(17)23-13-22-19)20(27)25-15-7-9-26(2)10-8-15/h1,4-6,11-13,15H,7-10H2,2H3,(H,25,27)(H,22,23,24)