N-(6-azanyl-2-cyclopentylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)-3,4-bis(fluoranyl)benzamide

Systemtic Name: N-(6-azanyl-2-cyclopentylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)-3,4-bis(fluoranyl)benzamide Openeye Name: N-(6-amino-2-cyclopentylsulfanyl-4-oxo-1H-pyrimidin-5-yl)-3,4-difluoro-benzamide CAS Name: N-[6-amino-2-(cyclopentylthio)-4-oxo-1H-pyrimidin-5-yl]-3,4-difluorobenzamide IUPAC Name: N-(6-amino-2-cyclopentylsulfanyl-4-oxo-1H-pyrimidin-5-yl)-3,4-difluorobenzamide Traditional Name: N-[6-amino-2-(cyclopentylthio)-4-keto-1H-pyrimidin-5-yl]-3,4-difluoro-benzamide Formula: C16H16F2N4O2S MolecularWeight: 366.385646

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)SC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC(=C(C=C3)F)F

Isomeric SMILES

C1CCC(C1)SC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC(=C(C=C3)F)F

InChI

InChI=1S/C16H16F2N4O2S/c17-10-6-5-8(7-11(10)18)14(23)20-12-13(19)21-16(22-15(12)24)25-9-3-1-2-4-9/h5-7,9H,1-4H2,(H,20,23)(H3,19,21,22,24)