6-ethyl-5-(3-nitro-4-piperidin-1-yl-phenyl)pyrimidine-2,4-diamine

Systemtic Name: 6-ethyl-5-(3-nitro-4-piperidin-1-yl-phenyl)pyrimidine-2,4-diamine Openeye Name: 6-ethyl-5-[3-nitro-4-(1-piperidyl)phenyl]pyrimidine-2,4-diamine CAS Name: 6-ethyl-5-[3-nitro-4-(1-piperidinyl)phenyl]pyrimidine-2,4-diamine IUPAC Name: 6-ethyl-5-(3-nitro-4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine Traditional Name: [2-amino-6-ethyl-5-(3-nitro-4-piperidino-phenyl)pyrimidin-4-yl]amine Formula: C17H22N6O2 MolecularWeight: 342.39558

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H22N6O2/c1-2-12-15(16(18)21-17(19)20-12)11-6-7-13(14(10-11)23(24)25)22-8-4-3-5-9-22/h6-7,10H,2-5,8-9H2,1H3,(H4,18,19,20,21)