5-[3-[(3-methoxy-3-oxidanylidene-propyl)amino]-3-oxidanylidene-propyl]-6-methyl-2-(phenylmethylsulfanyl)pyrimidin-4-olate

Systemtic Name: 5-[3-[(3-methoxy-3-oxidanylidene-propyl)amino]-3-oxidanylidene-propyl]-6-methyl-2-(phenylmethylsulfanyl)pyrimidin-4-olate Openeye Name: 2-benzylsulfanyl-5-[3-[(3-methoxy-3-oxo-propyl)amino]-3-oxo-propyl]-6-methyl-pyrimidin-4-olate CAS Name: 5-[3-[(3-methoxy-3-oxopropyl)amino]-3-oxopropyl]-6-methyl-2-(phenylmethylthio)-4-pyrimidinolate IUPAC Name: 2-benzylsulfanyl-5-[3-[(3-methoxy-3-oxopropyl)amino]-3-oxopropyl]-6-methylpyrimidin-4-olate Traditional Name: 2-(benzylthio)-5-[3-keto-3-[(3-keto-3-methoxy-propyl)amino]propyl]-6-methyl-pyrimidin-4-olate Formula: C19H22N3O4S- MolecularWeight: 388.46068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC2=CC=CC=C2)[O-])CCC(=O)NCCC(=O)OC

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC2=CC=CC=C2)[O-])CCC(=O)NCCC(=O)OC

InChI

InChI=1S/C19H23N3O4S/c1-13-15(8-9-16(23)20-11-10-17(24)26-2)18(25)22-19(21-13)27-12-14-6-4-3-5-7-14/h3-7H,8-12H2,1-2H3,(H,20,23)(H,21,22,25)/p-1