2-[[6-(3-azanylpiperidin-1-yl)-2,4-bis(oxidanylidene)pyrimidin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[6-(3-azanylpiperidin-1-yl)-2,4-bis(oxidanylidene)pyrimidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[6-(3-amino-1-piperidyl)-2,4-dioxo-pyrimidin-1-yl]methyl]benzonitrile CAS Name: 2-[[6-(3-amino-1-piperidinyl)-2,4-dioxo-1-pyrimidinyl]methyl]benzonitrile IUPAC Name: 2-[[6-(3-aminopiperidin-1-yl)-2,4-dioxopyrimidin-1-yl]methyl]benzonitrile Traditional Name: 2-[[6-(3-aminopiperidino)-2,4-diketo-pyrimidin-1-yl]methyl]benzonitrile Formula: C17H19N5O2 MolecularWeight: 325.36506

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=CC(=O)NC(=O)N2CC3=CC=CC=C3C#N)N

Isomeric SMILES

C1CC(CN(C1)C2=CC(=O)NC(=O)N2CC3=CC=CC=C3C#N)N

InChI

InChI=1S/C17H19N5O2/c18-9-12-4-1-2-5-13(12)10-22-16(8-15(23)20-17(22)24)21-7-3-6-14(19)11-21/h1-2,4-5,8,14H,3,6-7,10-11,19H2,(H,20,23,24)