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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=C(C(=NC=N2)NC(C)COC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=C(C(=NC=N2)NC(C)COC)[N+](=O)[O-]

InChI

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