N4-(2-ethylphenyl)-5-nitro-N6-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine

Systemtic Name: N4-(2-ethylphenyl)-5-nitro-N6-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine Openeye Name: N4-(2-ethylphenyl)-N6-(4-isopropylphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(2-ethylphenyl)-5-nitro-N6-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(2-ethylphenyl)-5-nitro-6-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine Traditional Name: (6-cumidino-5-nitro-pyrimidin-4-yl)-(2-ethylphenyl)amine Formula: C21H23N5O2 MolecularWeight: 377.43962

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCC1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(C)C

InChI

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