N2-(3-methylbutyl)-5-nitro-N4-(phenylmethyl)pyrimidine-2,4,6-triamine

Systemtic Name: N2-(3-methylbutyl)-5-nitro-N4-(phenylmethyl)pyrimidine-2,4,6-triamine Openeye Name: N4-benzyl-N2-isopentyl-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N2-(3-methylbutyl)-5-nitro-N4-(phenylmethyl)pyrimidine-2,4,6-triamine IUPAC Name: 4-N-benzyl-2-N-(3-methylbutyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [4-amino-6-(benzylamino)-5-nitro-pyrimidin-2-yl]-isoamyl-amine Formula: C16H22N6O2 MolecularWeight: 330.38488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC(=C(C(=N1)NCC2=CC=CC=C2)[N+](=O)[O-])N

Isomeric SMILES

CC(C)CCNC1=NC(=C(C(=N1)NCC2=CC=CC=C2)[N+](=O)[O-])N

InChI

InChI=1S/C16H22N6O2/c1-11(2)8-9-18-16-20-14(17)13(22(23)24)15(21-16)19-10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H4,17,18,19,20,21)