2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-6-methyl-5-[(4-propan-2-yloxyphenyl)methyl]pyrimidin-4-olate

Systemtic Name: 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-6-methyl-5-[(4-propan-2-yloxyphenyl)methyl]pyrimidin-4-olate Openeye Name: 2-(2-amino-2-oxo-ethyl)sulfanyl-5-[(4-isopropoxyphenyl)methyl]-6-methyl-pyrimidin-4-olate CAS Name: 2-[(2-amino-2-oxoethyl)thio]-6-methyl-5-[(4-propan-2-yloxyphenyl)methyl]-4-pyrimidinolate IUPAC Name: 2-(2-amino-2-oxoethyl)sulfanyl-6-methyl-5-[(4-propan-2-yloxyphenyl)methyl]pyrimidin-4-olate Traditional Name: 2-[(2-amino-2-keto-ethyl)thio]-5-(4-isopropoxybenzyl)-6-methyl-pyrimidin-4-olate Formula: C17H20N3O3S- MolecularWeight: 346.424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC(=O)N)[O-])CC2=CC=C(C=C2)OC(C)C

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC(=O)N)[O-])CC2=CC=C(C=C2)OC(C)C

InChI

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