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

Systemtic Name: 2-[[2-[(3R)-3-azanylpiperidin-1-yl]-5-bromanyl-4-methyl-6-oxidanylidene-pyrimidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[2-[(3R)-3-amino-1-piperidyl]-5-bromo-4-methyl-6-oxo-pyrimidin-1-yl]methyl]benzonitrile CAS Name: 2-[[2-[(3R)-3-amino-1-piperidinyl]-5-bromo-4-methyl-6-oxo-1-pyrimidinyl]methyl]benzonitrile IUPAC Name: 2-[[2-[(3R)-3-aminopiperidin-1-yl]-5-bromo-4-methyl-6-oxopyrimidin-1-yl]methyl]benzonitrile Traditional Name: 2-[[2-[(3R)-3-aminopiperidino]-5-bromo-6-keto-4-methyl-pyrimidin-1-yl]methyl]benzonitrile Formula: C18H20BrN5O MolecularWeight: 402.2883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=N1)N2CCCC(C2)N)CC3=CC=CC=C3C#N)Br

Isomeric SMILES

CC1=C(C(=O)N(C(=N1)N2CCC[C@H](C2)N)CC3=CC=CC=C3C#N)Br

InChI

InChI=1S/C18H20BrN5O/c1-12-16(19)17(25)24(10-14-6-3-2-5-13(14)9-20)18(22-12)23-8-4-7-15(21)11-23/h2-3,5-6,15H,4,7-8,10-11,21H2,1H3/t15-/m1/s1