N6-(4-butoxyphenyl)-N4-(1-methoxypropan-2-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(4-butoxyphenyl)-N4-(1-methoxypropan-2-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(4-butoxyphenyl)-N4-(2-methoxy-1-methyl-ethyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(4-butoxyphenyl)-N4-(1-methoxypropan-2-yl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(4-butoxyphenyl)-4-N-(1-methoxypropan-2-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(4-butoxyanilino)-5-nitro-pyrimidin-4-yl]-(2-methoxy-1-methyl-ethyl)amine Formula: C18H25N5O4 MolecularWeight: 375.4222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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