N6-(5-methyl-1,2-oxazol-3-yl)-N4-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(5-methyl-1,2-oxazol-3-yl)-N4-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(5-methylisoxazol-3-yl)-N4-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(5-methyl-3-isoxazolyl)-N4-(4-methyl-1-piperazinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(4-methylpiperazin-1-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: (5-methylisoxazol-3-yl)-[6-[(4-methylpiperazino)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C13H18N8O3 MolecularWeight: 334.33382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC2=C(C(=NC=N2)NN3CCN(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NO1)NC2=C(C(=NC=N2)NN3CCN(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C13H18N8O3/c1-9-7-10(18-24-9)16-12-11(21(22)23)13(15-8-14-12)17-20-5-3-19(2)4-6-20/h7-8H,3-6H2,1-2H3,(H2,14,15,16,17,18)