N4-(4-ethoxyphenyl)-N2-(3-methoxypropyl)-5-nitro-pyrimidine-2,4,6-triamine

Systemtic Name: N4-(4-ethoxyphenyl)-N2-(3-methoxypropyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N4-(4-ethoxyphenyl)-N2-(3-methoxypropyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N4-(4-ethoxyphenyl)-N2-(3-methoxypropyl)-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 4-N-(4-ethoxyphenyl)-2-N-(3-methoxypropyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [6-amino-2-(3-methoxypropylamino)-5-nitro-pyrimidin-4-yl]-p-phenetyl-amine Formula: C16H22N6O4 MolecularWeight: 362.38368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCCCOC

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCCCOC

InChI

InChI=1S/C16H22N6O4/c1-3-26-12-7-5-11(6-8-12)19-15-13(22(23)24)14(17)20-16(21-15)18-9-4-10-25-2/h5-8H,3-4,9-10H2,1-2H3,(H4,17,18,19,20,21)