3-[3-(2-hydroxyethyloxymethyl)-5-methyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]sulfanylbenzenecarbonitrile

Systemtic Name: 3-[3-(2-hydroxyethyloxymethyl)-5-methyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]sulfanylbenzenecarbonitrile Openeye Name: 3-[3-(2-hydroxyethoxymethyl)-5-methyl-2,6-dioxo-pyrimidin-4-yl]sulfanylbenzonitrile CAS Name: 3-[[3-(2-hydroxyethoxymethyl)-5-methyl-2,6-dioxo-4-pyrimidinyl]thio]benzonitrile IUPAC Name: 3-[3-(2-hydroxyethoxymethyl)-5-methyl-2,6-dioxopyrimidin-4-yl]sulfanylbenzonitrile Traditional Name: 3-[[3-(2-hydroxyethoxymethyl)-2,6-diketo-5-methyl-pyrimidin-4-yl]thio]benzonitrile Formula: C15H15N3O4S MolecularWeight: 333.3623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=O)NC1=O)COCCO)SC2=CC=CC(=C2)C#N

Isomeric SMILES

CC1=C(N(C(=O)NC1=O)COCCO)SC2=CC=CC(=C2)C#N

InChI

InChI=1S/C15H15N3O4S/c1-10-13(20)17-15(21)18(9-22-6-5-19)14(10)23-12-4-2-3-11(7-12)8-16/h2-4,7,19H,5-6,9H2,1H3,(H,17,20,21)