6-(4-methylphenyl)sulfanyl-N-(2-morpholin-4-ylethyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(4-methylphenyl)sulfanyl-N-(2-morpholin-4-ylethyl)-5-nitro-pyrimidin-4-amine Openeye Name: N-(2-morpholinoethyl)-5-nitro-6-(p-tolylsulfanyl)pyrimidin-4-amine CAS Name: 6-[(4-methylphenyl)thio]-N-[2-(4-morpholinyl)ethyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-methylphenyl)sulfanyl-N-(2-morpholin-4-ylethyl)-5-nitropyrimidin-4-amine Traditional Name: 2-morpholinoethyl-[5-nitro-6-(p-tolylthio)pyrimidin-4-yl]amine Formula: C17H21N5O3S MolecularWeight: 375.44534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NCCN3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NCCN3CCOCC3

InChI

InChI=1S/C17H21N5O3S/c1-13-2-4-14(5-3-13)26-17-15(22(23)24)16(19-12-20-17)18-6-7-21-8-10-25-11-9-21/h2-5,12H,6-11H2,1H3,(H,18,19,20)