N4-(5-chloranyl-2-methoxy-phenyl)-5-nitro-N6-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine

Systemtic Name: N4-(5-chloranyl-2-methoxy-phenyl)-5-nitro-N6-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-(5-chloro-2-methoxy-phenyl)-5-nitro-N6-(3-pyridylmethyl)pyrimidine-4,6-diamine CAS Name: N4-(5-chloro-2-methoxyphenyl)-5-nitro-N6-(3-pyridinylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(5-chloro-2-methoxyphenyl)-5-nitro-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine Traditional Name: [6-(5-chloro-2-methoxy-anilino)-5-nitro-pyrimidin-4-yl]-(3-pyridylmethyl)amine Formula: C17H15ClN6O3 MolecularWeight: 386.7924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC2=C(C(=NC=N2)NCC3=CN=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC2=C(C(=NC=N2)NCC3=CN=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15ClN6O3/c1-27-14-5-4-12(18)7-13(14)23-17-15(24(25)26)16(21-10-22-17)20-9-11-3-2-6-19-8-11/h2-8,10H,9H2,1H3,(H2,20,21,22,23)