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

Systemtic Name: 6-ethyl-5-(3-nitro-4-piperazin-1-yl-phenyl)pyrimidine-2,4-diamine Openeye Name: 6-ethyl-5-(3-nitro-4-piperazin-1-yl-phenyl)pyrimidine-2,4-diamine CAS Name: 6-ethyl-5-[3-nitro-4-(1-piperazinyl)phenyl]pyrimidine-2,4-diamine IUPAC Name: 6-ethyl-5-(3-nitro-4-piperazin-1-ylphenyl)pyrimidine-2,4-diamine Traditional Name: [2-amino-6-ethyl-5-(3-nitro-4-piperazino-phenyl)pyrimidin-4-yl]amine Formula: C16H21N7O2 MolecularWeight: 343.38364

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)N3CCNCC3)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)N3CCNCC3)[N+](=O)[O-]

InChI

InChI=1S/C16H21N7O2/c1-2-11-14(15(17)21-16(18)20-11)10-3-4-12(13(9-10)23(24)25)22-7-5-19-6-8-22/h3-4,9,19H,2,5-8H2,1H3,(H4,17,18,20,21)