N2-(4-butoxyphenyl)-N4-methyl-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N2-(4-butoxyphenyl)-N4-methyl-5-nitro-pyrimidine-2,4-diamine Openeye Name: N2-(4-butoxyphenyl)-N4-methyl-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-(4-butoxyphenyl)-N4-methyl-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N-(4-butoxyphenyl)-4-N-methyl-5-nitropyrimidine-2,4-diamine Traditional Name: [2-(4-butoxyanilino)-5-nitro-pyrimidin-4-yl]-methyl-amine Formula: C15H19N5O3 MolecularWeight: 317.34306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N5O3/c1-3-4-9-23-12-7-5-11(6-8-12)18-15-17-10-13(20(21)22)14(16-2)19-15/h5-8,10H,3-4,9H2,1-2H3,(H2,16,17,18,19)