2-(1,3-benzodioxol-5-yl)-4-hexylsulfanyl-5H-chromeno[2,3-d]pyrimidine

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-4-hexylsulfanyl-5H-chromeno[2,3-d]pyrimidine Openeye Name: 2-(1,3-benzodioxol-5-yl)-4-hexylsulfanyl-5H-chromeno[2,3-d]pyrimidine CAS Name: 2-(1,3-benzodioxol-5-yl)-4-(hexylthio)-5H-[1]benzopyrano[2,3-d]pyrimidine IUPAC Name: 2-(1,3-benzodioxol-5-yl)-4-hexylsulfanyl-5H-chromeno[2,3-d]pyrimidine Traditional Name: 2-(1,3-benzodioxol-5-yl)-4-(hexylthio)-5H-chromeno[2,3-d]pyrimidine Formula: C24H24N2O3S MolecularWeight: 420.52396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC(=NC2=C1CC3=CC=CC=C3O2)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCCCCCSC1=NC(=NC2=C1CC3=CC=CC=C3O2)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H24N2O3S/c1-2-3-4-7-12-30-24-18-13-16-8-5-6-9-19(16)29-23(18)25-22(26-24)17-10-11-20-21(14-17)28-15-27-20/h5-6,8-11,14H,2-4,7,12-13,15H2,1H3