N6-butyl-N4-(3-methoxyphenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-butyl-N4-(3-methoxyphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-butyl-N4-(3-methoxyphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-butyl-N4-(3-methoxyphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-butyl-4-N-(3-methoxyphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: butyl-[6-(m-anisidino)-5-nitro-pyrimidin-4-yl]amine Formula: C15H19N5O3 MolecularWeight: 317.34306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC(=CC=C2)OC

Isomeric SMILES

CCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC(=CC=C2)OC

InChI

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