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

Systemtic Name: 3-(5-azanylpentyl)-1-[(3-nitrophenyl)methyl]-6-(5-phenyl-1H-imidazol-2-yl)-2-sulfanylidene-1,3-diazinan-4-one Openeye Name: 3-(5-aminopentyl)-1-[(3-nitrophenyl)methyl]-6-(5-phenyl-1H-imidazol-2-yl)-2-thioxo-hexahydropyrimidin-4-one CAS Name: 3-(5-aminopentyl)-1-[(3-nitrophenyl)methyl]-6-(5-phenyl-1H-imidazol-2-yl)-2-sulfanylidene-1,3-diazinan-4-one IUPAC Name: 3-(5-aminopentyl)-1-[(3-nitrophenyl)methyl]-6-(5-phenyl-1H-imidazol-2-yl)-2-sulfanylidene-1,3-diazinan-4-one Traditional Name: 3-(5-aminopentyl)-1-(3-nitrobenzyl)-6-(5-phenyl-1H-imidazol-2-yl)-2-thioxo-hexahydropyrimidin-4-one Formula: C25H28N6O3S MolecularWeight: 492.59322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N6O3S/c26-12-5-2-6-13-29-23(32)15-22(24-27-16-21(28-24)19-9-3-1-4-10-19)30(25(29)35)17-18-8-7-11-20(14-18)31(33)34/h1,3-4,7-11,14,16,22H,2,5-6,12-13,15,17,26H2,(H,27,28)