N-[(4-methylphenyl)methyl]-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-amine

Systemtic Name: N-[(4-methylphenyl)methyl]-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-amine Openeye Name: 6-(4-isopropylphenoxy)-5-nitro-N-(p-tolylmethyl)pyrimidin-4-amine CAS Name: N-[(4-methylphenyl)methyl]-5-nitro-6-(4-propan-2-ylphenoxy)-4-pyrimidinamine IUPAC Name: N-[(4-methylphenyl)methyl]-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-amine Traditional Name: [6-(4-isopropylphenoxy)-5-nitro-pyrimidin-4-yl]-(4-methylbenzyl)amine Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=C(C(=NC=N2)OC3=CC=C(C=C3)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=C(C(=NC=N2)OC3=CC=C(C=C3)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O3/c1-14(2)17-8-10-18(11-9-17)28-21-19(25(26)27)20(23-13-24-21)22-12-16-6-4-15(3)5-7-16/h4-11,13-14H,12H2,1-3H3,(H,22,23,24)