N-(3-imidazol-1-ylpropyl)-6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(3-imidazol-1-ylpropyl)-6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-amine Openeye Name: N-(3-imidazol-1-ylpropyl)-5-nitro-6-(p-tolylsulfanyl)pyrimidin-4-amine CAS Name: N-[3-(1-imidazolyl)propyl]-6-[(4-methylphenyl)thio]-5-nitro-4-pyrimidinamine IUPAC Name: N-(3-imidazol-1-ylpropyl)-6-(4-methylphenyl)sulfanyl-5-nitropyrimidin-4-amine Traditional Name: 3-imidazol-1-ylpropyl-[5-nitro-6-(p-tolylthio)pyrimidin-4-yl]amine Formula: C17H18N6O2S MolecularWeight: 370.42882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NCCCN3C=CN=C3

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NCCCN3C=CN=C3

InChI

InChI=1S/C17H18N6O2S/c1-13-3-5-14(6-4-13)26-17-15(23(24)25)16(20-11-21-17)19-7-2-9-22-10-8-18-12-22/h3-6,8,10-12H,2,7,9H2,1H3,(H,19,20,21)