N4-[1-(phenylmethyl)piperidin-4-yl]-N2-(pyridin-2-ylmethyl)-5-thiophen-3-yl-pyrimidine-2,4-diamine

Systemtic Name: N4-[1-(phenylmethyl)piperidin-4-yl]-N2-(pyridin-2-ylmethyl)-5-thiophen-3-yl-pyrimidine-2,4-diamine Openeye Name: N4-(1-benzyl-4-piperidyl)-N2-(2-pyridylmethyl)-5-(3-thienyl)pyrimidine-2,4-diamine CAS Name: N4-[1-(phenylmethyl)-4-piperidinyl]-N2-(2-pyridinylmethyl)-5-(3-thiophenyl)pyrimidine-2,4-diamine IUPAC Name: 4-N-(1-benzylpiperidin-4-yl)-2-N-(pyridin-2-ylmethyl)-5-thiophen-3-ylpyrimidine-2,4-diamine Traditional Name: (1-benzyl-4-piperidyl)-[2-(2-pyridylmethylamino)-5-(3-thienyl)pyrimidin-4-yl]amine Formula: C26H28N6S MolecularWeight: 456.60572

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=NC(=NC=C2C3=CSC=C3)NCC4=CC=CC=N4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1NC2=NC(=NC=C2C3=CSC=C3)NCC4=CC=CC=N4)CC5=CC=CC=C5

InChI

InChI=1S/C26H28N6S/c1-2-6-20(7-3-1)18-32-13-9-22(10-14-32)30-25-24(21-11-15-33-19-21)17-29-26(31-25)28-16-23-8-4-5-12-27-23/h1-8,11-12,15,17,19,22H,9-10,13-14,16,18H2,(H2,28,29,30,31)