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

Systemtic Name: 2-[[2-[(3R)-3-azanylpiperidin-1-yl]-5-methoxy-6-oxidanylidene-pyrimidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[2-[(3R)-3-amino-1-piperidyl]-5-methoxy-6-oxo-pyrimidin-1-yl]methyl]benzonitrile CAS Name: 2-[[2-[(3R)-3-amino-1-piperidinyl]-5-methoxy-6-oxo-1-pyrimidinyl]methyl]benzonitrile IUPAC Name: 2-[[2-[(3R)-3-aminopiperidin-1-yl]-5-methoxy-6-oxopyrimidin-1-yl]methyl]benzonitrile Traditional Name: 2-[[2-[(3R)-3-aminopiperidino]-6-keto-5-methoxy-pyrimidin-1-yl]methyl]benzonitrile Formula: C18H21N5O2 MolecularWeight: 339.39164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN=C(N(C1=O)CC2=CC=CC=C2C#N)N3CCCC(C3)N

Isomeric SMILES

COC1=CN=C(N(C1=O)CC2=CC=CC=C2C#N)N3CCC[C@H](C3)N

InChI

InChI=1S/C18H21N5O2/c1-25-16-10-21-18(22-8-4-7-15(20)12-22)23(17(16)24)11-14-6-3-2-5-13(14)9-19/h2-3,5-6,10,15H,4,7-8,11-12,20H2,1H3/t15-/m1/s1