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

Systemtic Name: 2-[[2-[(3R)-3-azanylpiperidin-1-yl]-4,5-dimethyl-6-oxidanylidene-pyrimidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[2-[(3R)-3-amino-1-piperidyl]-4,5-dimethyl-6-oxo-pyrimidin-1-yl]methyl]benzonitrile CAS Name: 2-[[2-[(3R)-3-amino-1-piperidinyl]-4,5-dimethyl-6-oxo-1-pyrimidinyl]methyl]benzonitrile IUPAC Name: 2-[[2-[(3R)-3-aminopiperidin-1-yl]-4,5-dimethyl-6-oxopyrimidin-1-yl]methyl]benzonitrile Traditional Name: 2-[[2-[(3R)-3-aminopiperidino]-6-keto-4,5-dimethyl-pyrimidin-1-yl]methyl]benzonitrile Formula: C19H23N5O MolecularWeight: 337.41882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N(C1=O)CC2=CC=CC=C2C#N)N3CCCC(C3)N)C

Isomeric SMILES

CC1=C(N=C(N(C1=O)CC2=CC=CC=C2C#N)N3CCC[C@H](C3)N)C

InChI

InChI=1S/C19H23N5O/c1-13-14(2)22-19(23-9-5-8-17(21)12-23)24(18(13)25)11-16-7-4-3-6-15(16)10-20/h3-4,6-7,17H,5,8-9,11-12,21H2,1-2H3/t17-/m1/s1