N6-(3-methylbutyl)-5-nitro-N4-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine

Systemtic Name: N6-(3-methylbutyl)-5-nitro-N4-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine Openeye Name: N6-isopentyl-5-nitro-N4-(3-pyridylmethyl)pyrimidine-4,6-diamine CAS Name: N6-(3-methylbutyl)-5-nitro-N4-(3-pyridinylmethyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-(3-methylbutyl)-5-nitro-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine Traditional Name: isoamyl-[5-nitro-6-(3-pyridylmethylamino)pyrimidin-4-yl]amine Formula: C15H20N6O2 MolecularWeight: 316.3583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC=NC(=C1[N+](=O)[O-])NCC2=CN=CC=C2

Isomeric SMILES

CC(C)CCNC1=NC=NC(=C1[N+](=O)[O-])NCC2=CN=CC=C2

InChI

InChI=1S/C15H20N6O2/c1-11(2)5-7-17-14-13(21(22)23)15(20-10-19-14)18-9-12-4-3-6-16-8-12/h3-4,6,8,10-11H,5,7,9H2,1-2H3,(H2,17,18,19,20)