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

Systemtic Name: 4-azanyl-2-[(5-morpholin-4-ylsulfonyl-1-propyl-benzimidazol-2-yl)methylsulfanyl]pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[(5-morpholinosulfonyl-1-propyl-benzimidazol-2-yl)methylsulfanyl]pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[5-(4-morpholinylsulfonyl)-1-propyl-2-benzimidazolyl]methylthio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)methylsulfanyl]pyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[(5-morpholinosulfonyl-1-propyl-benzimidazol-2-yl)methylthio]pyrimidine-5-carbonitrile Formula: C20H23N7O3S2 MolecularWeight: 473.57172

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CSC4=NC=C(C(=N4)N)C#N

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CSC4=NC=C(C(=N4)N)C#N

InChI

InChI=1S/C20H23N7O3S2/c1-2-5-27-17-4-3-15(32(28,29)26-6-8-30-9-7-26)10-16(17)24-18(27)13-31-20-23-12-14(11-21)19(22)25-20/h3-4,10,12H,2,5-9,13H2,1H3,(H2,22,23,25)