N4-(4-butoxyphenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(4-butoxyphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(4-butoxyphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(4-butoxyphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(4-butoxyphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: (6-amino-5-nitro-pyrimidin-4-yl)-(4-butoxyphenyl)amine Formula: C14H17N5O3 MolecularWeight: 303.31648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N

InChI

InChI=1S/C14H17N5O3/c1-2-3-8-22-11-6-4-10(5-7-11)18-14-12(19(20)21)13(15)16-9-17-14/h4-7,9H,2-3,8H2,1H3,(H3,15,16,17,18)