5-nitro-N6-(4-propan-2-ylphenyl)-N4-pyridin-3-yl-pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N6-(4-propan-2-ylphenyl)-N4-pyridin-3-yl-pyrimidine-4,6-diamine Openeye Name: N6-(4-isopropylphenyl)-5-nitro-N4-(3-pyridyl)pyrimidine-4,6-diamine CAS Name: 5-nitro-N6-(4-propan-2-ylphenyl)-N4-(3-pyridinyl)pyrimidine-4,6-diamine IUPAC Name: 5-nitro-6-N-(4-propan-2-ylphenyl)-4-N-pyridin-3-ylpyrimidine-4,6-diamine Traditional Name: (6-cumidino-5-nitro-pyrimidin-4-yl)-(3-pyridyl)amine Formula: C18H18N6O2 MolecularWeight: 350.37452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CN=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CN=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N6O2/c1-12(2)13-5-7-14(8-6-13)22-17-16(24(25)26)18(21-11-20-17)23-15-4-3-9-19-10-15/h3-12H,1-2H3,(H2,20,21,22,23)