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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCN(C1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(C)C

InChI

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