N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-1-(5-cyanopyridin-2-yl)-N-ethyl-piperidine-4-carboxamide

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-1-(5-cyanopyridin-2-yl)-N-ethyl-piperidine-4-carboxamide Openeye Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-1-(5-cyano-2-pyridyl)-N-ethyl-piperidine-4-carboxamide CAS Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-1-(5-cyano-2-pyridinyl)-N-ethyl-4-piperidinecarboxamide IUPAC Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-1-(5-cyanopyridin-2-yl)-N-ethylpiperidine-4-carboxamide Traditional Name: N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-1-(5-cyano-2-pyridyl)-N-ethyl-isonipecotamide Formula: C25H27N7O3 MolecularWeight: 473.52698

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3CCN(CC3)C4=NC=C(C=C4)C#N

Isomeric SMILES

CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3CCN(CC3)C4=NC=C(C=C4)C#N

InChI

InChI=1S/C25H27N7O3/c1-2-31(21-22(27)32(25(35)29-23(21)33)16-17-6-4-3-5-7-17)24(34)19-10-12-30(13-11-19)20-9-8-18(14-26)15-28-20/h3-9,15,19H,2,10-13,16,27H2,1H3,(H,29,33,35)