3-(6-azanylhexyl)-1-[(3-nitrophenyl)methyl]-6-(5-phenyl-1H-imidazol-2-yl)-2-sulfanylidene-1,3-diazinan-4-one

Systemtic Name: 3-(6-azanylhexyl)-1-[(3-nitrophenyl)methyl]-6-(5-phenyl-1H-imidazol-2-yl)-2-sulfanylidene-1,3-diazinan-4-one Openeye Name: 3-(6-aminohexyl)-1-[(3-nitrophenyl)methyl]-6-(5-phenyl-1H-imidazol-2-yl)-2-thioxo-hexahydropyrimidin-4-one CAS Name: 3-(6-aminohexyl)-1-[(3-nitrophenyl)methyl]-6-(5-phenyl-1H-imidazol-2-yl)-2-sulfanylidene-1,3-diazinan-4-one IUPAC Name: 3-(6-aminohexyl)-1-[(3-nitrophenyl)methyl]-6-(5-phenyl-1H-imidazol-2-yl)-2-sulfanylidene-1,3-diazinan-4-one Traditional Name: 3-(6-aminohexyl)-1-(3-nitrobenzyl)-6-(5-phenyl-1H-imidazol-2-yl)-2-thioxo-hexahydropyrimidin-4-one Formula: C26H30N6O3S MolecularWeight: 506.6198

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C(=S)N(C1=O)CCCCCCN)CC2=CC(=CC=C2)[N+](=O)[O-])C3=NC=C(N3)C4=CC=CC=C4

Isomeric SMILES

C1C(N(C(=S)N(C1=O)CCCCCCN)CC2=CC(=CC=C2)[N+](=O)[O-])C3=NC=C(N3)C4=CC=CC=C4

InChI

InChI=1S/C26H30N6O3S/c27-13-6-1-2-7-14-30-24(33)16-23(25-28-17-22(29-25)20-10-4-3-5-11-20)31(26(30)36)18-19-9-8-12-21(15-19)32(34)35/h3-5,8-12,15,17,23H,1-2,6-7,13-14,16,18,27H2,(H,28,29)