3-(6-azanylhexyl)-1-(cyclohexylmethyl)-6-(5-phenyl-1H-imidazol-2-yl)-2-sulfanylidene-1,3-diazinan-4-one

Systemtic Name: 3-(6-azanylhexyl)-1-(cyclohexylmethyl)-6-(5-phenyl-1H-imidazol-2-yl)-2-sulfanylidene-1,3-diazinan-4-one Openeye Name: 3-(6-aminohexyl)-1-(cyclohexylmethyl)-6-(5-phenyl-1H-imidazol-2-yl)-2-thioxo-hexahydropyrimidin-4-one CAS Name: 3-(6-aminohexyl)-1-(cyclohexylmethyl)-6-(5-phenyl-1H-imidazol-2-yl)-2-sulfanylidene-1,3-diazinan-4-one IUPAC Name: 3-(6-aminohexyl)-1-(cyclohexylmethyl)-6-(5-phenyl-1H-imidazol-2-yl)-2-sulfanylidene-1,3-diazinan-4-one Traditional Name: 3-(6-aminohexyl)-1-(cyclohexylmethyl)-6-(5-phenyl-1H-imidazol-2-yl)-2-thioxo-hexahydropyrimidin-4-one Formula: C26H37N5OS MolecularWeight: 467.66988

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN2C(CC(=O)N(C2=S)CCCCCCN)C3=NC=C(N3)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)CN2C(CC(=O)N(C2=S)CCCCCCN)C3=NC=C(N3)C4=CC=CC=C4

InChI

InChI=1S/C26H37N5OS/c27-15-9-1-2-10-16-30-24(32)17-23(31(26(30)33)19-20-11-5-3-6-12-20)25-28-18-22(29-25)21-13-7-4-8-14-21/h4,7-8,13-14,18,20,23H,1-3,5-6,9-12,15-17,19,27H2,(H,28,29)