2-[[2-[(3R)-3-azanyl-3-methyl-piperidin-1-yl]-5-chloranyl-6-oxidanylidene-pyrimidin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[2-[(3R)-3-azanyl-3-methyl-piperidin-1-yl]-5-chloranyl-6-oxidanylidene-pyrimidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[2-[(3R)-3-amino-3-methyl-1-piperidyl]-5-chloro-6-oxo-pyrimidin-1-yl]methyl]benzonitrile CAS Name: 2-[[2-[(3R)-3-amino-3-methyl-1-piperidinyl]-5-chloro-6-oxo-1-pyrimidinyl]methyl]benzonitrile IUPAC Name: 2-[[2-[(3R)-3-amino-3-methylpiperidin-1-yl]-5-chloro-6-oxopyrimidin-1-yl]methyl]benzonitrile Traditional Name: 2-[[2-[(3R)-3-amino-3-methyl-piperidino]-5-chloro-6-keto-pyrimidin-1-yl]methyl]benzonitrile Formula: C18H20ClN5O MolecularWeight: 357.8373

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCN(C1)C2=NC=C(C(=O)N2CC3=CC=CC=C3C#N)Cl)N

Isomeric SMILES

C[C@]1(CCCN(C1)C2=NC=C(C(=O)N2CC3=CC=CC=C3C#N)Cl)N

InChI

InChI=1S/C18H20ClN5O/c1-18(21)7-4-8-23(12-18)17-22-10-15(19)16(25)24(17)11-14-6-3-2-5-13(14)9-20/h2-3,5-6,10H,4,7-8,11-12,21H2,1H3/t18-/m1/s1