N-[6-azanyl-2-(naphthalen-1-ylmethylsulfanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]-4-ethoxy-benzamide

Systemtic Name: N-[6-azanyl-2-(naphthalen-1-ylmethylsulfanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]-4-ethoxy-benzamide Openeye Name: N-[6-amino-2-(1-naphthylmethylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]-4-ethoxy-benzamide CAS Name: N-[6-amino-2-(1-naphthalenylmethylthio)-4-oxo-1H-pyrimidin-5-yl]-4-ethoxybenzamide IUPAC Name: N-[6-amino-2-(naphthalen-1-ylmethylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]-4-ethoxybenzamide Traditional Name: N-[6-amino-4-keto-2-(1-naphthylmethylthio)-1H-pyrimidin-5-yl]-4-ethoxy-benzamide Formula: C24H22N4O3S MolecularWeight: 446.52148

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC3=CC=CC4=CC=CC=C43)N

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC3=CC=CC4=CC=CC=C43)N

InChI

InChI=1S/C24H22N4O3S/c1-2-31-18-12-10-16(11-13-18)22(29)26-20-21(25)27-24(28-23(20)30)32-14-17-8-5-7-15-6-3-4-9-19(15)17/h3-13H,2,14H2,1H3,(H,26,29)(H3,25,27,28,30)