4-[(phenylmethyl)amino]-2-[[4-(piperidin-1-ylmethyl)phenyl]amino]pyrimidine-5-carboxamide

Systemtic Name: 4-[(phenylmethyl)amino]-2-[[4-(piperidin-1-ylmethyl)phenyl]amino]pyrimidine-5-carboxamide Openeye Name: 4-(benzylamino)-2-[4-(1-piperidylmethyl)anilino]pyrimidine-5-carboxamide CAS Name: 4-[(phenylmethyl)amino]-2-[4-(1-piperidinylmethyl)anilino]-5-pyrimidinecarboxamide IUPAC Name: 4-(benzylamino)-2-[4-(piperidin-1-ylmethyl)anilino]pyrimidine-5-carboxamide Traditional Name: 4-(benzylamino)-2-[4-(piperidinomethyl)anilino]pyrimidine-5-carboxamide Formula: C24H28N6O MolecularWeight: 416.51872

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC=C(C=C2)NC3=NC=C(C(=N3)NCC4=CC=CC=C4)C(=O)N

Isomeric SMILES

C1CCN(CC1)CC2=CC=C(C=C2)NC3=NC=C(C(=N3)NCC4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C24H28N6O/c25-22(31)21-16-27-24(29-23(21)26-15-18-7-3-1-4-8-18)28-20-11-9-19(10-12-20)17-30-13-5-2-6-14-30/h1,3-4,7-12,16H,2,5-6,13-15,17H2,(H2,25,31)(H2,26,27,28,29)