N-[6-azanyl-2-(2-morpholin-4-ylethylsulfanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]-3,4-bis(fluoranyl)benzamide

Systemtic Name: N-[6-azanyl-2-(2-morpholin-4-ylethylsulfanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]-3,4-bis(fluoranyl)benzamide Openeye Name: N-[6-amino-2-(2-morpholinoethylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]-3,4-difluoro-benzamide CAS Name: N-[6-amino-2-[2-(4-morpholinyl)ethylthio]-4-oxo-1H-pyrimidin-5-yl]-3,4-difluorobenzamide IUPAC Name: N-[6-amino-2-(2-morpholin-4-ylethylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]-3,4-difluorobenzamide Traditional Name: N-[6-amino-4-keto-2-(2-morpholinoethylthio)-1H-pyrimidin-5-yl]-3,4-difluoro-benzamide Formula: C17H19F2N5O3S MolecularWeight: 411.426266

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC(=C(C=C3)F)F

Isomeric SMILES

C1COCCN1CCSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC(=C(C=C3)F)F

InChI

InChI=1S/C17H19F2N5O3S/c18-11-2-1-10(9-12(11)19)15(25)21-13-14(20)22-17(23-16(13)26)28-8-5-24-3-6-27-7-4-24/h1-2,9H,3-8H2,(H,21,25)(H3,20,22,23,26)