N6-(1-methoxypropan-2-yl)-N4-methyl-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine

Systemtic Name: N6-(1-methoxypropan-2-yl)-N4-methyl-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N6-(2-methoxy-1-methyl-ethyl)-N4-methyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(1-methoxypropan-2-yl)-N4-methyl-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-6-N-(1-methoxypropan-2-yl)-4-N-methyl-5-nitropyrimidine-4,6-diamine Traditional Name: benzyl-[6-[(2-methoxy-1-methyl-ethyl)amino]-5-nitro-pyrimidin-4-yl]-methyl-amine Formula: C16H21N5O3 MolecularWeight: 331.36964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N5O3/c1-12(10-24-3)19-15-14(21(22)23)16(18-11-17-15)20(2)9-13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,17,18,19)