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

Systemtic Name: N-[6-azanyl-2-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]-3,4-dimethoxy-benzamide Openeye Name: N-[6-amino-2-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]-3,4-dimethoxy-benzamide CAS Name: N-[6-amino-2-[2-(1,3-dioxolan-2-yl)ethylthio]-4-oxo-1H-pyrimidin-5-yl]-3,4-dimethoxybenzamide IUPAC Name: N-[6-amino-2-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]-3,4-dimethoxybenzamide Traditional Name: N-[6-amino-2-[2-(1,3-dioxolan-2-yl)ethylthio]-4-keto-1H-pyrimidin-5-yl]-3,4-dimethoxy-benzamide Formula: C18H22N4O6S MolecularWeight: 422.45548

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCCC3OCCO3)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCCC3OCCO3)N)OC

InChI

InChI=1S/C18H22N4O6S/c1-25-11-4-3-10(9-12(11)26-2)16(23)20-14-15(19)21-18(22-17(14)24)29-8-5-13-27-6-7-28-13/h3-4,9,13H,5-8H2,1-2H3,(H,20,23)(H3,19,21,22,24)