N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-N'-(4-thiophen-2-ylpyrimidin-2-yl)ethane-1,2-diamine

Systemtic Name: N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-N'-(4-thiophen-2-ylpyrimidin-2-yl)ethane-1,2-diamine Openeye Name: N-[1-[(3,4-dichlorophenyl)methyl]-4-piperidyl]-N'-[4-(2-thienyl)pyrimidin-2-yl]ethane-1,2-diamine CAS Name: N-[1-[(3,4-dichlorophenyl)methyl]-4-piperidinyl]-N'-(4-thiophen-2-yl-2-pyrimidinyl)ethane-1,2-diamine IUPAC Name: N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-N'-(4-thiophen-2-ylpyrimidin-2-yl)ethane-1,2-diamine Traditional Name: [1-(3,4-dichlorobenzyl)-4-piperidyl]-[2-[[4-(2-thienyl)pyrimidin-2-yl]amino]ethyl]amine Formula: C22H25Cl2N5S MolecularWeight: 462.4384

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NCCNC2=NC=CC(=N2)C3=CC=CS3)CC4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C1CN(CCC1NCCNC2=NC=CC(=N2)C3=CC=CS3)CC4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C22H25Cl2N5S/c23-18-4-3-16(14-19(18)24)15-29-11-6-17(7-12-29)25-9-10-27-22-26-8-5-20(28-22)21-2-1-13-30-21/h1-5,8,13-14,17,25H,6-7,9-12,15H2,(H,26,27,28)