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

Systemtic Name: N4,N4-bis(2-methoxyethyl)-2-methyl-N6-(2-methylsulfanyl-4-propan-2-yl-phenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(4-isopropyl-2-methylsulfanyl-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-(methylthio)-4-propan-2-ylphenyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N,4-N-bis(2-methoxyethyl)-2-methyl-6-N-(2-methylsulfanyl-4-propan-2-ylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-[4-isopropyl-2-(methylthio)anilino]-2-methyl-5-nitro-pyrimidin-4-yl]-bis(2-methoxyethyl)amine Formula: C21H31N5O4S MolecularWeight: 449.56694

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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)SC

Isomeric SMILES

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

InChI

InChI=1S/C21H31N5O4S/c1-14(2)16-7-8-17(18(13-16)31-6)24-20-19(26(27)28)21(23-15(3)22-20)25(9-11-29-4)10-12-30-5/h7-8,13-14H,9-12H2,1-6H3,(H,22,23,24)