N6-tert-butyl-N4-methyl-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine

Systemtic Name: N6-tert-butyl-N4-methyl-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N6-tert-butyl-N4-methyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-tert-butyl-N4-methyl-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-6-N-tert-butyl-4-N-methyl-5-nitropyrimidine-4,6-diamine Traditional Name: benzyl-[6-(tert-butylamino)-5-nitro-pyrimidin-4-yl]-methyl-amine Formula: C16H21N5O2 MolecularWeight: 315.37024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=C(C(=NC=N1)N(C)CC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NC1=C(C(=NC=N1)N(C)CC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H21N5O2/c1-16(2,3)19-14-13(21(22)23)15(18-11-17-14)20(4)10-12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3,(H,17,18,19)