4-azanyl-2-[(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methylsulfanyl]pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methylsulfanyl]pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methylsulfanyl]pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]methylthio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methylsulfanyl]pyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methylthio]pyrimidine-5-carbonitrile Formula: C19H21N7O3S2 MolecularWeight: 459.54514

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CSC4=NC=C(C(=N4)N)C#N

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CSC4=NC=C(C(=N4)N)C#N

InChI

InChI=1S/C19H21N7O3S2/c1-2-26-16-4-3-14(31(27,28)25-5-7-29-8-6-25)9-15(16)23-17(26)12-30-19-22-11-13(10-20)18(21)24-19/h3-4,9,11H,2,5-8,12H2,1H3,(H2,21,22,24)