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

Systemtic Name: N4-cyclopropyl-N2-methyl-N2-[1-(4-methylsulfonylphenyl)ethyl]-5-nitro-pyrimidine-2,4-diamine Openeye Name: N4-cyclopropyl-N2-methyl-N2-[1-(4-methylsulfonylphenyl)ethyl]-5-nitro-pyrimidine-2,4-diamine CAS Name: N4-cyclopropyl-N2-methyl-N2-[1-(4-methylsulfonylphenyl)ethyl]-5-nitropyrimidine-2,4-diamine IUPAC Name: 4-N-cyclopropyl-2-N-methyl-2-N-[1-(4-methylsulfonylphenyl)ethyl]-5-nitropyrimidine-2,4-diamine Traditional Name: [4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]-[1-(4-mesylphenyl)ethyl]-methyl-amine Formula: C17H21N5O4S MolecularWeight: 391.44474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)S(=O)(=O)C)N(C)C2=NC=C(C(=N2)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=C(C=C1)S(=O)(=O)C)N(C)C2=NC=C(C(=N2)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O4S/c1-11(12-4-8-14(9-5-12)27(3,25)26)21(2)17-18-10-15(22(23)24)16(20-17)19-13-6-7-13/h4-5,8-11,13H,6-7H2,1-3H3,(H,18,19,20)