3-(5-azanylpentyl)-1-(1H-indol-3-ylmethyl)-6-(5-phenyl-1H-imidazol-2-yl)-2-sulfanylidene-1,3-diazinan-4-one

Systemtic Name: 3-(5-azanylpentyl)-1-(1H-indol-3-ylmethyl)-6-(5-phenyl-1H-imidazol-2-yl)-2-sulfanylidene-1,3-diazinan-4-one Openeye Name: 3-(5-aminopentyl)-1-(1H-indol-3-ylmethyl)-6-(5-phenyl-1H-imidazol-2-yl)-2-thioxo-hexahydropyrimidin-4-one CAS Name: 3-(5-aminopentyl)-1-(1H-indol-3-ylmethyl)-6-(5-phenyl-1H-imidazol-2-yl)-2-sulfanylidene-1,3-diazinan-4-one IUPAC Name: 3-(5-aminopentyl)-1-(1H-indol-3-ylmethyl)-6-(5-phenyl-1H-imidazol-2-yl)-2-sulfanylidene-1,3-diazinan-4-one Traditional Name: 3-(5-aminopentyl)-1-(1H-indol-3-ylmethyl)-6-(5-phenyl-1H-imidazol-2-yl)-2-thioxo-hexahydropyrimidin-4-one Formula: C27H30N6OS MolecularWeight: 486.6317

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C(=S)N(C1=O)CCCCCN)CC2=CNC3=CC=CC=C32)C4=NC=C(N4)C5=CC=CC=C5

Isomeric SMILES

C1C(N(C(=S)N(C1=O)CCCCCN)CC2=CNC3=CC=CC=C32)C4=NC=C(N4)C5=CC=CC=C5

InChI

InChI=1S/C27H30N6OS/c28-13-7-2-8-14-32-25(34)15-24(26-30-17-23(31-26)19-9-3-1-4-10-19)33(27(32)35)18-20-16-29-22-12-6-5-11-21(20)22/h1,3-6,9-12,16-17,24,29H,2,7-8,13-15,18,28H2,(H,30,31)