N6-(3-methoxypropyl)-N4-(3-methylpyridin-2-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(3-methoxypropyl)-N4-(3-methylpyridin-2-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(3-methoxypropyl)-N4-(3-methyl-2-pyridyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(3-methoxypropyl)-N4-(3-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(3-methoxypropyl)-4-N-(3-methylpyridin-2-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: 3-methoxypropyl-[6-[(3-methyl-2-pyridyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C14H18N6O3 MolecularWeight: 318.33112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)NC2=C(C(=NC=N2)NCCCOC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(N=CC=C1)NC2=C(C(=NC=N2)NCCCOC)[N+](=O)[O-]

InChI

InChI=1S/C14H18N6O3/c1-10-5-3-6-15-12(10)19-14-11(20(21)22)13(17-9-18-14)16-7-4-8-23-2/h3,5-6,9H,4,7-8H2,1-2H3,(H2,15,16,17,18,19)