4-heptylsulfanyl-2-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine

Systemtic Name: 4-heptylsulfanyl-2-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine Openeye Name: 4-heptylsulfanyl-2-phenyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine CAS Name: 4-(heptylthio)-2-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine IUPAC Name: 4-heptylsulfanyl-2-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine Traditional Name: 4-(heptylthio)-2-phenyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine Formula: C23H28N2S2 MolecularWeight: 396.61182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=NC(=NC2=C1C3=C(S2)CCCC3)C4=CC=CC=C4

Isomeric SMILES

CCCCCCCSC1=NC(=NC2=C1C3=C(S2)CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C23H28N2S2/c1-2-3-4-5-11-16-26-22-20-18-14-9-10-15-19(18)27-23(20)25-21(24-22)17-12-7-6-8-13-17/h6-8,12-13H,2-5,9-11,14-16H2,1H3