N6-(3-methoxypropyl)-N4-[(4-methylphenyl)methyl]-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(3-methoxypropyl)-N4-[(4-methylphenyl)methyl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(3-methoxypropyl)-5-nitro-N4-(p-tolylmethyl)pyrimidine-4,6-diamine CAS Name: N6-(3-methoxypropyl)-N4-[(4-methylphenyl)methyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(3-methoxypropyl)-4-N-[(4-methylphenyl)methyl]-5-nitropyrimidine-4,6-diamine Traditional Name: 3-methoxypropyl-[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)NCCCOC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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