4-[(4-azanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-cyclohexyl-butanamide

Systemtic Name: 4-[(4-azanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-cyclohexyl-butanamide Openeye Name: 4-[(4-amino-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-cyclohexyl-butanamide CAS Name: 4-[(4-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)thio]-N-cyclohexylbutanamide IUPAC Name: 4-[(4-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-cyclohexylbutanamide Traditional Name: 4-[(4-amino-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)thio]-N-cyclohexyl-butyramide Formula: C20H28N4OS2 MolecularWeight: 404.59252

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CCCSC2=NC(=C3C4=C(CCCC4)SC3=N2)N

Isomeric SMILES

C1CCC(CC1)NC(=O)CCCSC2=NC(=C3C4=C(CCCC4)SC3=N2)N

InChI

InChI=1S/C20H28N4OS2/c21-18-17-14-9-4-5-10-15(14)27-19(17)24-20(23-18)26-12-6-11-16(25)22-13-7-2-1-3-8-13/h13H,1-12H2,(H,22,25)(H2,21,23,24)