[4-(4-tert-butylphenoxy)-2-propylsulfanyl-pyrimidin-5-yl] 2-dimethylaminoethyl carbonate

Systemtic Name: [4-(4-tert-butylphenoxy)-2-propylsulfanyl-pyrimidin-5-yl] 2-dimethylaminoethyl carbonate Openeye Name: [4-(4-tert-butylphenoxy)-2-propylsulfanyl-pyrimidin-5-yl] 2-dimethylaminoethyl carbonate CAS Name: carbonic acid [4-(4-tert-butylphenoxy)-2-(propylthio)-5-pyrimidinyl] 2-dimethylaminoethyl ester IUPAC Name: [4-(4-tert-butylphenoxy)-2-propylsulfanylpyrimidin-5-yl] 2-dimethylaminoethyl carbonate Traditional Name: carbonic acid [4-(4-tert-butylphenoxy)-2-(propylthio)pyrimidin-5-yl] 2-dimethylaminoethyl ester Formula: C22H31N3O4S MolecularWeight: 433.56424

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC=C(C(=N1)OC2=CC=C(C=C2)C(C)(C)C)OC(=O)OCCN(C)C

Isomeric SMILES

CCCSC1=NC=C(C(=N1)OC2=CC=C(C=C2)C(C)(C)C)OC(=O)OCCN(C)C

InChI

InChI=1S/C22H31N3O4S/c1-7-14-30-20-23-15-18(29-21(26)27-13-12-25(5)6)19(24-20)28-17-10-8-16(9-11-17)22(2,3)4/h8-11,15H,7,12-14H2,1-6H3