2-[3-[(2-methoxyphenyl)amino]-3-oxidanylidene-propyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[3-[(2-methoxyphenyl)amino]-3-oxidanylidene-propyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[3-(2-methoxyanilino)-3-oxo-propyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[3-(2-methoxyanilino)-3-oxopropyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[3-(2-methoxyanilino)-3-oxopropyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[3-keto-3-(o-anisidino)propyl]thio]-6-propyl-pyrimidin-4-olate Formula: C17H20N3O3S- MolecularWeight: 346.424

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCCC(=O)NC2=CC=CC=C2OC)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCCC(=O)NC2=CC=CC=C2OC)[O-]

InChI

InChI=1S/C17H21N3O3S/c1-3-6-12-11-16(22)20-17(18-12)24-10-9-15(21)19-13-7-4-5-8-14(13)23-2/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H,19,21)(H,18,20,22)/p-1