4-[(2,4-dichlorophenyl)methylamino]-N-ethyl-2-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 4-[(2,4-dichlorophenyl)methylamino]-N-ethyl-2-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 4-[(2,4-dichlorophenyl)methylamino]-N-ethyl-2-[4-(2-pyrrolidin-1-ylethyl)-1-piperidyl]thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 4-[(2,4-dichlorophenyl)methylamino]-N-ethyl-2-[4-[2-(1-pyrrolidinyl)ethyl]-1-piperidinyl]-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 4-[(2,4-dichlorophenyl)methylamino]-N-ethyl-2-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 4-[(2,4-dichlorobenzyl)amino]-N-ethyl-2-[4-(2-pyrrolidinoethyl)piperidino]thieno[2,3-d]pyrimidine-6-carboxamide Formula: C27H34Cl2N6OS MolecularWeight: 561.56946

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC2=C(N=C(N=C2S1)N3CCC(CC3)CCN4CCCC4)NCC5=C(C=C(C=C5)Cl)Cl

Isomeric SMILES

CCNC(=O)C1=CC2=C(N=C(N=C2S1)N3CCC(CC3)CCN4CCCC4)NCC5=C(C=C(C=C5)Cl)Cl

InChI

InChI=1S/C27H34Cl2N6OS/c1-2-30-25(36)23-16-21-24(31-17-19-5-6-20(28)15-22(19)29)32-27(33-26(21)37-23)35-13-8-18(9-14-35)7-12-34-10-3-4-11-34/h5-6,15-16,18H,2-4,7-14,17H2,1H3,(H,30,36)(H,31,32,33)