2-(4-methoxyphenyl)-7,7-dimethyl-4-(3-methylbutylsulfanyl)-5,8-dihydropyrano[4,3-d]pyrimidine

Systemtic Name: 2-(4-methoxyphenyl)-7,7-dimethyl-4-(3-methylbutylsulfanyl)-5,8-dihydropyrano[4,3-d]pyrimidine Openeye Name: 4-isopentylsulfanyl-2-(4-methoxyphenyl)-7,7-dimethyl-5,8-dihydropyrano[4,3-d]pyrimidine CAS Name: 2-(4-methoxyphenyl)-7,7-dimethyl-4-(3-methylbutylthio)-5,8-dihydropyrano[4,3-d]pyrimidine IUPAC Name: 2-(4-methoxyphenyl)-7,7-dimethyl-4-(3-methylbutylsulfanyl)-5,8-dihydropyrano[4,3-d]pyrimidine Traditional Name: 4-(isoamylthio)-2-(4-methoxyphenyl)-7,7-dimethyl-5,8-dihydropyrano[4,3-d]pyrimidine Formula: C21H28N2O2S MolecularWeight: 372.52422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NC(=NC2=C1COC(C2)(C)C)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)CCSC1=NC(=NC2=C1COC(C2)(C)C)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H28N2O2S/c1-14(2)10-11-26-20-17-13-25-21(3,4)12-18(17)22-19(23-20)15-6-8-16(24-5)9-7-15/h6-9,14H,10-13H2,1-5H3