4-[(4-azanyl-5-cyano-pyrimidin-2-yl)amino]-N-[(3-methoxyphenyl)methyl]benzenesulfonamide

Systemtic Name: 4-[(4-azanyl-5-cyano-pyrimidin-2-yl)amino]-N-[(3-methoxyphenyl)methyl]benzenesulfonamide Openeye Name: 4-[(4-amino-5-cyano-pyrimidin-2-yl)amino]-N-[(3-methoxyphenyl)methyl]benzenesulfonamide CAS Name: 4-[(4-amino-5-cyano-2-pyrimidinyl)amino]-N-[(3-methoxyphenyl)methyl]benzenesulfonamide IUPAC Name: 4-[(4-amino-5-cyanopyrimidin-2-yl)amino]-N-[(3-methoxyphenyl)methyl]benzenesulfonamide Traditional Name: 4-[(4-amino-5-cyano-pyrimidin-2-yl)amino]-N-m-anisyl-benzenesulfonamide Formula: C19H18N6O3S MolecularWeight: 410.44962

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNS(=O)(=O)C2=CC=C(C=C2)NC3=NC=C(C(=N3)N)C#N

Isomeric SMILES

COC1=CC=CC(=C1)CNS(=O)(=O)C2=CC=C(C=C2)NC3=NC=C(C(=N3)N)C#N

InChI

InChI=1S/C19H18N6O3S/c1-28-16-4-2-3-13(9-16)11-23-29(26,27)17-7-5-15(6-8-17)24-19-22-12-14(10-20)18(21)25-19/h2-9,12,23H,11H2,1H3,(H3,21,22,24,25)