3-cyclopentyl-2-cyclopentylimino-pyrido[1,2-a][1,3,5]triazin-4-one; iron(2+)

Systemtic Name: 3-cyclopentyl-2-cyclopentylimino-pyrido[1,2-a][1,3,5]triazin-4-one; iron(2+) Openeye Name: ferrous 3-cyclopentyl-2-cyclopentylimino-pyrido[1,2-a][1,3,5]triazin-4-one CAS Name: 3-cyclopentyl-2-cyclopentylimino-4-pyrido[1,2-a][1,3,5]triazinone; iron(2+) IUPAC Name: 3-cyclopentyl-2-cyclopentyliminopyrido[1,2-a][1,3,5]triazin-4-one; iron(2+) Traditional Name: ferrous 3-cyclopentyl-2-cyclopentylimino-pyrido[1,2-a][1,3,5]triazin-4-one Formula: C17H12FeN4O+2 MolecularWeight: 344.14838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NC(=N[C]3[CH][CH][CH][CH]3)N(C(=O)N2C=C1)[C]4[CH][CH][CH][CH]4.[Fe+2]

Isomeric SMILES

C1=CC2=NC(=N[C]3[CH][CH][CH][CH]3)N(C(=O)N2C=C1)[C]4[CH][CH][CH][CH]4.[Fe+2]

InChI

InChI=1S/C17H12N4O.Fe/c22-17-20-12-6-5-11-15(20)19-16(18-13-7-1-2-8-13)21(17)14-9-3-4-10-14;/h1-12H;/q;+2