4-[4-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2,6-diethoxy-phenyl]benzenesulfonamide

Systemtic Name: 4-[4-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2,6-diethoxy-phenyl]benzenesulfonamide Openeye Name: 4-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-diethoxy-phenyl]benzenesulfonamide CAS Name: 4-[4-[(2,4-diamino-5-pyrimidinyl)methyl]-2,6-diethoxyphenyl]benzenesulfonamide IUPAC Name: 4-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-diethoxyphenyl]benzenesulfonamide Traditional Name: 4-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-diethoxy-phenyl]benzenesulfonamide Formula: C21H25N5O4S MolecularWeight: 443.5193

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1C2=CC=C(C=C2)S(=O)(=O)N)OCC)CC3=CN=C(N=C3N)N

Isomeric SMILES

CCOC1=CC(=CC(=C1C2=CC=C(C=C2)S(=O)(=O)N)OCC)CC3=CN=C(N=C3N)N

InChI

InChI=1S/C21H25N5O4S/c1-3-29-17-10-13(9-15-12-25-21(23)26-20(15)22)11-18(30-4-2)19(17)14-5-7-16(8-6-14)31(24,27)28/h5-8,10-12H,3-4,9H2,1-2H3,(H2,24,27,28)(H4,22,23,25,26)