2-[[4-(3-azanylpiperidin-1-yl)-1-methyl-6-oxidanylidene-pyrimidin-5-yl]-methyl-amino]benzenecarbonitrile

Systemtic Name: 2-[[4-(3-azanylpiperidin-1-yl)-1-methyl-6-oxidanylidene-pyrimidin-5-yl]-methyl-amino]benzenecarbonitrile Openeye Name: 2-[[4-(3-amino-1-piperidyl)-1-methyl-6-oxo-pyrimidin-5-yl]-methyl-amino]benzonitrile CAS Name: 2-[[4-(3-amino-1-piperidinyl)-1-methyl-6-oxo-5-pyrimidinyl]-methylamino]benzonitrile IUPAC Name: 2-[[4-(3-aminopiperidin-1-yl)-1-methyl-6-oxopyrimidin-5-yl]-methylamino]benzonitrile Traditional Name: 2-[[4-(3-aminopiperidino)-6-keto-1-methyl-pyrimidin-5-yl]-methyl-amino]benzonitrile Formula: C18H22N6O MolecularWeight: 338.40688

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C(C1=O)N(C)C2=CC=CC=C2C#N)N3CCCC(C3)N

Isomeric SMILES

CN1C=NC(=C(C1=O)N(C)C2=CC=CC=C2C#N)N3CCCC(C3)N

InChI

InChI=1S/C18H22N6O/c1-22-12-21-17(24-9-5-7-14(20)11-24)16(18(22)25)23(2)15-8-4-3-6-13(15)10-19/h3-4,6,8,12,14H,5,7,9,11,20H2,1-2H3