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

Systemtic Name: 2-heptylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine Openeye Name: 2-heptylsulfanyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-amine CAS Name: 2-(heptylthio)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine IUPAC Name: 2-heptylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine Traditional Name: [2-(heptylthio)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl]amine Formula: C17H25N3S2 MolecularWeight: 335.5305

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=NC(=C2C3=C(CCCC3)SC2=N1)N

Isomeric SMILES

CCCCCCCSC1=NC(=C2C3=C(CCCC3)SC2=N1)N

InChI

InChI=1S/C17H25N3S2/c1-2-3-4-5-8-11-21-17-19-15(18)14-12-9-6-7-10-13(12)22-16(14)20-17/h2-11H2,1H3,(H2,18,19,20)