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

Systemtic Name: N4-ethyl-N6-[(4-methoxyphenyl)methyl]-N4-(3-methylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-ethyl-N6-[(4-methoxyphenyl)methyl]-N4-(m-tolyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-ethyl-N6-[(4-methoxyphenyl)methyl]-N4-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-ethyl-6-N-[(4-methoxyphenyl)methyl]-4-N-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: ethyl-(m-tolyl)-[5-nitro-6-(p-anisylamino)pyrimidin-4-yl]amine Formula: C21H23N5O3 MolecularWeight: 393.43902

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O3/c1-4-25(17-7-5-6-15(2)12-17)21-19(26(27)28)20(23-14-24-21)22-13-16-8-10-18(29-3)11-9-16/h5-12,14H,4,13H2,1-3H3,(H,22,23,24)