2-[4-[[4-[(4-ethoxyphenyl)amino]-6-methyl-5-nitro-pyrimidin-2-yl]amino]phenyl]sulfonylethanol

Systemtic Name: 2-[4-[[4-[(4-ethoxyphenyl)amino]-6-methyl-5-nitro-pyrimidin-2-yl]amino]phenyl]sulfonylethanol Openeye Name: 2-[4-[[4-(4-ethoxyanilino)-6-methyl-5-nitro-pyrimidin-2-yl]amino]phenyl]sulfonylethanol CAS Name: 2-[4-[[4-(4-ethoxyanilino)-6-methyl-5-nitro-2-pyrimidinyl]amino]phenyl]sulfonylethanol IUPAC Name: 2-[4-[[4-(4-ethoxyanilino)-6-methyl-5-nitropyrimidin-2-yl]amino]phenyl]sulfonylethanol Traditional Name: 2-[4-[[4-methyl-5-nitro-6-(p-phenetidino)pyrimidin-2-yl]amino]phenyl]sulfonylethanol Formula: C21H23N5O6S MolecularWeight: 473.50222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])C)NC3=CC=C(C=C3)S(=O)(=O)CCO

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])C)NC3=CC=C(C=C3)S(=O)(=O)CCO

InChI

InChI=1S/C21H23N5O6S/c1-3-32-17-8-4-15(5-9-17)23-20-19(26(28)29)14(2)22-21(25-20)24-16-6-10-18(11-7-16)33(30,31)13-12-27/h4-11,27H,3,12-13H2,1-2H3,(H2,22,23,24,25)