N4,N4-bis(2-methoxyethyl)-2-methyl-N6-(2-methylsulfonyl-4-propan-2-yl-phenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4,N4-bis(2-methoxyethyl)-2-methyl-N6-(2-methylsulfonyl-4-propan-2-yl-phenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(4-isopropyl-2-methylsulfonyl-phenyl)-N4,N4-bis(2-methoxyethyl)-2-methyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4,N4-bis(2-methoxyethyl)-2-methyl-N6-(2-methylsulfonyl-4-propan-2-ylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N,4-N-bis(2-methoxyethyl)-2-methyl-6-N-(2-methylsulfonyl-4-propan-2-ylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(4-isopropyl-2-mesyl-anilino)-2-methyl-5-nitro-pyrimidin-4-yl]-bis(2-methoxyethyl)amine Formula: C21H31N5O6S MolecularWeight: 481.56574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=N1)N(CCOC)CCOC)[N+](=O)[O-])NC2=C(C=C(C=C2)C(C)C)S(=O)(=O)C

Isomeric SMILES

CC1=NC(=C(C(=N1)N(CCOC)CCOC)[N+](=O)[O-])NC2=C(C=C(C=C2)C(C)C)S(=O)(=O)C

InChI

InChI=1S/C21H31N5O6S/c1-14(2)16-7-8-17(18(13-16)33(6,29)30)24-20-19(26(27)28)21(23-15(3)22-20)25(9-11-31-4)10-12-32-5/h7-8,13-14H,9-12H2,1-6H3,(H,22,23,24)