[6-[(3,4-dimethoxyphenyl)methyl]-5-methyl-4-oxidanylidene-1H-pyrimidin-2-yl] carbamodithioate

Systemtic Name: [6-[(3,4-dimethoxyphenyl)methyl]-5-methyl-4-oxidanylidene-1H-pyrimidin-2-yl] carbamodithioate Openeye Name: [6-[(3,4-dimethoxyphenyl)methyl]-5-methyl-4-oxo-1H-pyrimidin-2-yl] carbamodithioate CAS Name: carbamodithioic acid [6-[(3,4-dimethoxyphenyl)methyl]-5-methyl-4-oxo-1H-pyrimidin-2-yl] ester IUPAC Name: [6-[(3,4-dimethoxyphenyl)methyl]-5-methyl-4-oxo-1H-pyrimidin-2-yl] carbamodithioate Traditional Name: carbamodithioic acid (4-keto-5-methyl-6-veratryl-1H-pyrimidin-2-yl) ester Formula: C15H17N3O3S2 MolecularWeight: 351.44378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)SC(=S)N)CC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC1=C(NC(=NC1=O)SC(=S)N)CC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C15H17N3O3S2/c1-8-10(17-15(18-13(8)19)23-14(16)22)6-9-4-5-11(20-2)12(7-9)21-3/h4-5,7H,6H2,1-3H3,(H2,16,22)(H,17,18,19)