4-azanyl-2-[2-oxidanylidene-2-[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]sulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[2-oxidanylidene-2-[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]sulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidyl]ethyl]sulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinyl]ethyl]thio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]sulfanylpyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[2-keto-2-[4-(2-keto-3H-benzimidazol-1-yl)piperidino]ethyl]thio]pyrimidine-5-carbonitrile Formula: C19H19N7O2S MolecularWeight: 409.46486

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=CC=CC=C3NC2=O)C(=O)CSC4=NC=C(C(=N4)N)C#N

Isomeric SMILES

C1CN(CCC1N2C3=CC=CC=C3NC2=O)C(=O)CSC4=NC=C(C(=N4)N)C#N

InChI

InChI=1S/C19H19N7O2S/c20-9-12-10-22-18(24-17(12)21)29-11-16(27)25-7-5-13(6-8-25)26-15-4-2-1-3-14(15)23-19(26)28/h1-4,10,13H,5-8,11H2,(H,23,28)(H2,21,22,24)