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

Systemtic Name: 2-[[4-(3-azanylpiperidin-1-yl)-1-methyl-6-oxidanylidene-pyrimidin-5-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[4-(3-amino-1-piperidyl)-1-methyl-6-oxo-pyrimidin-5-yl]methyl]benzonitrile CAS Name: 2-[[4-(3-amino-1-piperidinyl)-1-methyl-6-oxo-5-pyrimidinyl]methyl]benzonitrile IUPAC Name: 2-[[4-(3-aminopiperidin-1-yl)-1-methyl-6-oxopyrimidin-5-yl]methyl]benzonitrile Traditional Name: 2-[[4-(3-aminopiperidino)-6-keto-1-methyl-pyrimidin-5-yl]methyl]benzonitrile Formula: C18H21N5O MolecularWeight: 323.39224

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C(C1=O)CC2=CC=CC=C2C#N)N3CCCC(C3)N

Isomeric SMILES

CN1C=NC(=C(C1=O)CC2=CC=CC=C2C#N)N3CCCC(C3)N

InChI

InChI=1S/C18H21N5O/c1-22-12-21-17(23-8-4-7-15(20)11-23)16(18(22)24)9-13-5-2-3-6-14(13)10-19/h2-3,5-6,12,15H,4,7-9,11,20H2,1H3