N-[6-azanyl-2-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]benzamide

Systemtic Name: N-[6-azanyl-2-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]benzamide Openeye Name: N-[6-amino-2-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]benzamide CAS Name: N-[6-amino-2-[2-(1,3-dioxolan-2-yl)ethylthio]-4-oxo-1H-pyrimidin-5-yl]benzamide IUPAC Name: N-[6-amino-2-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]benzamide Traditional Name: N-[6-amino-2-[2-(1,3-dioxolan-2-yl)ethylthio]-4-keto-1H-pyrimidin-5-yl]benzamide Formula: C16H18N4O4S MolecularWeight: 362.40352

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(O1)CCSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1COC(O1)CCSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H18N4O4S/c17-13-12(18-14(21)10-4-2-1-3-5-10)15(22)20-16(19-13)25-9-6-11-23-7-8-24-11/h1-5,11H,6-9H2,(H,18,21)(H3,17,19,20,22)