4-[[5-azanyl-6-[(3-methoxyphenyl)amino]pyrimidin-4-yl]amino]-N,N-diethyl-benzenesulfonamide

Systemtic Name: 4-[[5-azanyl-6-[(3-methoxyphenyl)amino]pyrimidin-4-yl]amino]-N,N-diethyl-benzenesulfonamide Openeye Name: 4-[[5-amino-6-(3-methoxyanilino)pyrimidin-4-yl]amino]-N,N-diethyl-benzenesulfonamide CAS Name: 4-[[5-amino-6-(3-methoxyanilino)-4-pyrimidinyl]amino]-N,N-diethylbenzenesulfonamide IUPAC Name: 4-[[5-amino-6-(3-methoxyanilino)pyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide Traditional Name: 4-[[5-amino-6-(m-anisidino)pyrimidin-4-yl]amino]-N,N-diethyl-benzenesulfonamide Formula: C21H26N6O3S MolecularWeight: 442.53454

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC(=CC=C3)OC)N

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC(=CC=C3)OC)N

InChI

InChI=1S/C21H26N6O3S/c1-4-27(5-2)31(28,29)18-11-9-15(10-12-18)25-20-19(22)21(24-14-23-20)26-16-7-6-8-17(13-16)30-3/h6-14H,4-5,22H2,1-3H3,(H2,23,24,25,26)