N4-(4-butoxyphenyl)-N6-(3-methoxypropyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(4-butoxyphenyl)-N6-(3-methoxypropyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(4-butoxyphenyl)-N6-(3-methoxypropyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(4-butoxyphenyl)-N6-(3-methoxypropyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(4-butoxyphenyl)-6-N-(3-methoxypropyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(4-butoxyanilino)-5-nitro-pyrimidin-4-yl]-(3-methoxypropyl)amine Formula: C18H25N5O4 MolecularWeight: 375.4222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N5O4/c1-3-4-12-27-15-8-6-14(7-9-15)22-18-16(23(24)25)17(20-13-21-18)19-10-5-11-26-2/h6-9,13H,3-5,10-12H2,1-2H3,(H2,19,20,21,22)