N-(4-butoxyphenyl)-6-diazanyl-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(4-butoxyphenyl)-6-diazanyl-5-nitro-pyrimidin-4-amine Openeye Name: N-(4-butoxyphenyl)-6-hydrazino-5-nitro-pyrimidin-4-amine CAS Name: N-(4-butoxyphenyl)-6-hydrazinyl-5-nitro-4-pyrimidinamine IUPAC Name: N-(4-butoxyphenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine Traditional Name: (4-butoxyphenyl)-(6-hydrazino-5-nitro-pyrimidin-4-yl)amine Formula: C14H18N6O3 MolecularWeight: 318.33112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)NN)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)NN)[N+](=O)[O-]

InChI

InChI=1S/C14H18N6O3/c1-2-3-8-23-11-6-4-10(5-7-11)18-13-12(20(21)22)14(19-15)17-9-16-13/h4-7,9H,2-3,8,15H2,1H3,(H2,16,17,18,19)