N-[2-[4-(2-azanylidene-3-cyclohexyl-imidazolidin-1-yl)sulfonylphenyl]ethyl]pyrimidine-5-carboxamide

Systemtic Name: N-[2-[4-(2-azanylidene-3-cyclohexyl-imidazolidin-1-yl)sulfonylphenyl]ethyl]pyrimidine-5-carboxamide Openeye Name: N-[2-[4-(3-cyclohexyl-2-imino-imidazolidin-1-yl)sulfonylphenyl]ethyl]pyrimidine-5-carboxamide CAS Name: N-[2-[4-[(3-cyclohexyl-2-imino-1-imidazolidinyl)sulfonyl]phenyl]ethyl]-5-pyrimidinecarboxamide IUPAC Name: N-[2-[4-(3-cyclohexyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]ethyl]pyrimidine-5-carboxamide Traditional Name: N-[2-[4-(3-cyclohexyl-2-imino-imidazolidin-1-yl)sulfonylphenyl]ethyl]pyrimidine-5-carboxamide Formula: C22H28N6O3S MolecularWeight: 456.56112

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCN(C2=N)S(=O)(=O)C3=CC=C(C=C3)CCNC(=O)C4=CN=CN=C4

Isomeric SMILES

C1CCC(CC1)N2CCN(C2=N)S(=O)(=O)C3=CC=C(C=C3)CCNC(=O)C4=CN=CN=C4

InChI

InChI=1S/C22H28N6O3S/c23-22-27(19-4-2-1-3-5-19)12-13-28(22)32(30,31)20-8-6-17(7-9-20)10-11-26-21(29)18-14-24-16-25-15-18/h6-9,14-16,19,23H,1-5,10-13H2,(H,26,29)