N-(5-chloranyl-2-methyl-phenyl)-6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(5-chloranyl-2-methyl-phenyl)-6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-(5-chloro-2-methyl-phenyl)-6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: N-(5-chloro-2-methylphenyl)-6-(4-ethyl-1-piperazinyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-(5-chloro-2-methylphenyl)-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: (5-chloro-2-methyl-phenyl)-[6-(4-ethylpiperazino)-5-nitro-pyrimidin-4-yl]amine Formula: C17H21ClN6O2 MolecularWeight: 376.84064

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C(=NC=N2)NC3=C(C=CC(=C3)Cl)C)[N+](=O)[O-]

Isomeric SMILES

CCN1CCN(CC1)C2=C(C(=NC=N2)NC3=C(C=CC(=C3)Cl)C)[N+](=O)[O-]

InChI

InChI=1S/C17H21ClN6O2/c1-3-22-6-8-23(9-7-22)17-15(24(25)26)16(19-11-20-17)21-14-10-13(18)5-4-12(14)2/h4-5,10-11H,3,6-9H2,1-2H3,(H,19,20,21)