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

Systemtic Name: N6-(3-methylbutyl)-N4-(5-methyl-1,2-oxazol-3-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-isopentyl-N4-(5-methylisoxazol-3-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(3-methylbutyl)-N4-(5-methyl-3-isoxazolyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(3-methylbutyl)-4-N-(5-methyl-1,2-oxazol-3-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: isoamyl-[6-[(5-methylisoxazol-3-yl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C13H18N6O3 MolecularWeight: 306.32042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N6O3/c1-8(2)4-5-14-12-11(19(20)21)13(16-7-15-12)17-10-6-9(3)22-18-10/h6-8H,4-5H2,1-3H3,(H2,14,15,16,17,18)