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

Systemtic Name: N4-ethyl-N4-(3-methylphenyl)-N6-[(4-methylphenyl)methyl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-ethyl-N4-(m-tolyl)-5-nitro-N6-(p-tolylmethyl)pyrimidine-4,6-diamine CAS Name: N4-ethyl-N4-(3-methylphenyl)-N6-[(4-methylphenyl)methyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-ethyl-4-N-(3-methylphenyl)-6-N-[(4-methylphenyl)methyl]-5-nitropyrimidine-4,6-diamine Traditional Name: ethyl-[6-[(4-methylbenzyl)amino]-5-nitro-pyrimidin-4-yl]-(m-tolyl)amine Formula: C21H23N5O2 MolecularWeight: 377.43962

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC(=C1)C)C2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=C(C=C3)C

Isomeric SMILES

CCN(C1=CC=CC(=C1)C)C2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=C(C=C3)C

InChI

InChI=1S/C21H23N5O2/c1-4-25(18-7-5-6-16(3)12-18)21-19(26(27)28)20(23-14-24-21)22-13-17-10-8-15(2)9-11-17/h5-12,14H,4,13H2,1-3H3,(H,22,23,24)