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

Systemtic Name: N4-(5-chloranylpyridin-2-yl)-5-nitro-N6-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine Openeye Name: N4-(5-chloro-2-pyridyl)-N6-(4-isopropylphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(5-chloro-2-pyridinyl)-5-nitro-N6-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(5-chloropyridin-2-yl)-5-nitro-6-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine Traditional Name: (5-chloro-2-pyridyl)-(6-cumidino-5-nitro-pyrimidin-4-yl)amine Formula: C18H17ClN6O2 MolecularWeight: 384.81958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN6O2/c1-11(2)12-3-6-14(7-4-12)23-17-16(25(26)27)18(22-10-21-17)24-15-8-5-13(19)9-20-15/h3-11H,1-2H3,(H2,20,21,22,23,24)