3-[6-methyl-2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]-N-[1-oxidanyl-3-(phenylmethylsulfanyl)propan-2-yl]prop-2-enamide

Systemtic Name: 3-[6-methyl-2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]-N-[1-oxidanyl-3-(phenylmethylsulfanyl)propan-2-yl]prop-2-enamide Openeye Name: N-[1-(benzylsulfanylmethyl)-2-hydroxy-ethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide CAS Name: N-[1-hydroxy-3-(phenylmethylthio)propan-2-yl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-2-propenamide IUPAC Name: N-(1-benzylsulfanyl-3-hydroxypropan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide Traditional Name: N-[1-[(benzylthio)methyl]-2-hydroxy-ethyl]-3-(2,4-diketo-6-methyl-1H-pyrimidin-5-yl)acrylamide Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=O)N1)C=CC(=O)NC(CO)CSCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=O)NC(=O)N1)C=CC(=O)NC(CO)CSCC2=CC=CC=C2

InChI

InChI=1S/C18H21N3O4S/c1-12-15(17(24)21-18(25)19-12)7-8-16(23)20-14(9-22)11-26-10-13-5-3-2-4-6-13/h2-8,14,22H,9-11H2,1H3,(H,20,23)(H2,19,21,24,25)