4-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidine-5-carbonitrile

Systemtic Name: 4-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidine-5-carbonitrile Openeye Name: 4-[(3S)-3-(1H-benzimidazol-2-yl)-1-piperidyl]-1,3-dimethyl-2,6-dioxo-pyrimidine-5-carbonitrile CAS Name: 4-[(3S)-3-(1H-benzimidazol-2-yl)-1-piperidinyl]-1,3-dimethyl-2,6-dioxo-5-pyrimidinecarbonitrile IUPAC Name: 4-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile Traditional Name: 4-[(3S)-3-(1H-benzimidazol-2-yl)piperidino]-2,6-diketo-1,3-dimethyl-pyrimidine-5-carbonitrile Formula: C19H20N6O2 MolecularWeight: 364.4011

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N(C1=O)C)C#N)N2CCCC(C2)C3=NC4=CC=CC=C4N3

Isomeric SMILES

CN1C(=C(C(=O)N(C1=O)C)C#N)N2CCC[C@@H](C2)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C19H20N6O2/c1-23-17(13(10-20)18(26)24(2)19(23)27)25-9-5-6-12(11-25)16-21-14-7-3-4-8-15(14)22-16/h3-4,7-8,12H,5-6,9,11H2,1-2H3,(H,21,22)/t12-/m0/s1