N4-cyclopropyl-N2-[1-(4-methylsulfanylphenyl)ethyl]-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N4-cyclopropyl-N2-[1-(4-methylsulfanylphenyl)ethyl]-5-nitro-pyrimidine-2,4-diamine Openeye Name: N4-cyclopropyl-N2-[1-(4-methylsulfanylphenyl)ethyl]-5-nitro-pyrimidine-2,4-diamine CAS Name: N4-cyclopropyl-N2-[1-[4-(methylthio)phenyl]ethyl]-5-nitropyrimidine-2,4-diamine IUPAC Name: 4-N-cyclopropyl-2-N-[1-(4-methylsulfanylphenyl)ethyl]-5-nitropyrimidine-2,4-diamine Traditional Name: cyclopropyl-[2-[1-[4-(methylthio)phenyl]ethylamino]-5-nitro-pyrimidin-4-yl]amine Formula: C16H19N5O2S MolecularWeight: 345.41936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)SC)NC2=NC=C(C(=N2)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=C(C=C1)SC)NC2=NC=C(C(=N2)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C16H19N5O2S/c1-10(11-3-7-13(24-2)8-4-11)18-16-17-9-14(21(22)23)15(20-16)19-12-5-6-12/h3-4,7-10,12H,5-6H2,1-2H3,(H2,17,18,19,20)