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

Systemtic Name: 6-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-5-nitro-pyrimidin-4-amine Openeye Name: N-(3-morpholinopropyl)-5-nitro-6-(p-tolylsulfanyl)pyrimidin-4-amine CAS Name: 6-[(4-methylphenyl)thio]-N-[3-(4-morpholinyl)propyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidin-4-amine Traditional Name: 3-morpholinopropyl-[5-nitro-6-(p-tolylthio)pyrimidin-4-yl]amine Formula: C18H23N5O3S MolecularWeight: 389.47192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NCCCN3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NCCCN3CCOCC3

InChI

InChI=1S/C18H23N5O3S/c1-14-3-5-15(6-4-14)27-18-16(23(24)25)17(20-13-21-18)19-7-2-8-22-9-11-26-12-10-22/h3-6,13H,2,7-12H2,1H3,(H,19,20,21)