carbonic acid; 2-[(4-methoxyphenyl)methylsulfanyl]-4,6-dimethyl-pyrimidine

Systemtic Name: carbonic acid; 2-[(4-methoxyphenyl)methylsulfanyl]-4,6-dimethyl-pyrimidine Openeye Name: carbonic acid; 2-[(4-methoxyphenyl)methylsulfanyl]-4,6-dimethyl-pyrimidine CAS Name: carbonic acid; 2-[(4-methoxyphenyl)methylthio]-4,6-dimethylpyrimidine IUPAC Name: carbonic acid; 2-[(4-methoxyphenyl)methylsulfanyl]-4,6-dimethylpyrimidine Traditional Name: carbonic acid; 4,6-dimethyl-2-(p-anisylthio)pyrimidine Formula: C15H18N2O4S MolecularWeight: 322.37942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)OC)C.C(=O)(O)O

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)OC)C.C(=O)(O)O

InChI

InChI=1S/C14H16N2OS.CH2O3/c1-10-8-11(2)16-14(15-10)18-9-12-4-6-13(17-3)7-5-12;2-1(3)4/h4-8H,9H2,1-3H3;(H2,2,3,4)