N-[4-azanyl-5-(5-fluoranyl-2-methoxy-phenyl)carbonyl-pyrimidin-2-yl]-N-pyrrolidin-3-yl-ethanesulfonamide

Systemtic Name: N-[4-azanyl-5-(5-fluoranyl-2-methoxy-phenyl)carbonyl-pyrimidin-2-yl]-N-pyrrolidin-3-yl-ethanesulfonamide Openeye Name: N-[4-amino-5-(5-fluoro-2-methoxy-benzoyl)pyrimidin-2-yl]-N-pyrrolidin-3-yl-ethanesulfonamide CAS Name: N-[4-amino-5-[(5-fluoro-2-methoxyphenyl)-oxomethyl]-2-pyrimidinyl]-N-(3-pyrrolidinyl)ethanesulfonamide IUPAC Name: N-[4-amino-5-(5-fluoro-2-methoxybenzoyl)pyrimidin-2-yl]-N-pyrrolidin-3-ylethanesulfonamide Traditional Name: N-[4-amino-5-(5-fluoro-2-methoxy-benzoyl)pyrimidin-2-yl]-N-pyrrolidin-3-yl-ethanesulfonamide Formula: C18H22FN5O4S MolecularWeight: 423.461783

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N(C1CCNC1)C2=NC=C(C(=N2)N)C(=O)C3=C(C=CC(=C3)F)OC

Isomeric SMILES

CCS(=O)(=O)N(C1CCNC1)C2=NC=C(C(=N2)N)C(=O)C3=C(C=CC(=C3)F)OC

InChI

InChI=1S/C18H22FN5O4S/c1-3-29(26,27)24(12-6-7-21-9-12)18-22-10-14(17(20)23-18)16(25)13-8-11(19)4-5-15(13)28-2/h4-5,8,10,12,21H,3,6-7,9H2,1-2H3,(H2,20,22,23)