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

Systemtic Name: N-[6-azanyl-2-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]-4-ethoxy-benzamide Openeye Name: N-[6-amino-2-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]-4-ethoxy-benzamide CAS Name: N-[6-amino-2-[2-(1,3-dioxolan-2-yl)ethylthio]-4-oxo-1H-pyrimidin-5-yl]-4-ethoxybenzamide IUPAC Name: N-[6-amino-2-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]-4-ethoxybenzamide Traditional Name: N-[6-amino-2-[2-(1,3-dioxolan-2-yl)ethylthio]-4-keto-1H-pyrimidin-5-yl]-4-ethoxy-benzamide Formula: C18H22N4O5S MolecularWeight: 406.45608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCCC3OCCO3)N

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCCC3OCCO3)N

InChI

InChI=1S/C18H22N4O5S/c1-2-25-12-5-3-11(4-6-12)16(23)20-14-15(19)21-18(22-17(14)24)28-10-7-13-26-8-9-27-13/h3-6,13H,2,7-10H2,1H3,(H,20,23)(H3,19,21,22,24)