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

Systemtic Name: 4-[(4-azanyl-5-cyano-pyrimidin-2-yl)amino]-N-(3-morpholin-4-ylpropyl)benzenesulfonamide Openeye Name: 4-[(4-amino-5-cyano-pyrimidin-2-yl)amino]-N-(3-morpholinopropyl)benzenesulfonamide CAS Name: 4-[(4-amino-5-cyano-2-pyrimidinyl)amino]-N-[3-(4-morpholinyl)propyl]benzenesulfonamide IUPAC Name: 4-[(4-amino-5-cyanopyrimidin-2-yl)amino]-N-(3-morpholin-4-ylpropyl)benzenesulfonamide Traditional Name: 4-[(4-amino-5-cyano-pyrimidin-2-yl)amino]-N-(3-morpholinopropyl)benzenesulfonamide Formula: C18H23N7O3S MolecularWeight: 417.48532

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNS(=O)(=O)C2=CC=C(C=C2)NC3=NC=C(C(=N3)N)C#N

Isomeric SMILES

C1COCCN1CCCNS(=O)(=O)C2=CC=C(C=C2)NC3=NC=C(C(=N3)N)C#N

InChI

InChI=1S/C18H23N7O3S/c19-12-14-13-21-18(24-17(14)20)23-15-2-4-16(5-3-15)29(26,27)22-6-1-7-25-8-10-28-11-9-25/h2-5,13,22H,1,6-11H2,(H3,20,21,23,24)