5-(3,4-dichlorophenyl)-6-[(3-methyl-4-nitro-phenoxy)methyl]pyrimidine-2,4-diamine

Systemtic Name: 5-(3,4-dichlorophenyl)-6-[(3-methyl-4-nitro-phenoxy)methyl]pyrimidine-2,4-diamine Openeye Name: 5-(3,4-dichlorophenyl)-6-[(3-methyl-4-nitro-phenoxy)methyl]pyrimidine-2,4-diamine CAS Name: 5-(3,4-dichlorophenyl)-6-[(3-methyl-4-nitrophenoxy)methyl]pyrimidine-2,4-diamine IUPAC Name: 5-(3,4-dichlorophenyl)-6-[(3-methyl-4-nitrophenoxy)methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-(3,4-dichlorophenyl)-6-[(3-methyl-4-nitro-phenoxy)methyl]pyrimidin-4-yl]amine Formula: C18H15Cl2N5O3 MolecularWeight: 420.2494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=C(C(=NC(=N2)N)N)C3=CC(=C(C=C3)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=C(C(=NC(=N2)N)N)C3=CC(=C(C=C3)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H15Cl2N5O3/c1-9-6-11(3-5-15(9)25(26)27)28-8-14-16(17(21)24-18(22)23-14)10-2-4-12(19)13(20)7-10/h2-7H,8H2,1H3,(H4,21,22,23,24)