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

Systemtic Name: N,N-dibutyl-2-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine Openeye Name: N,N-dibutyl-2-phenyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-amine CAS Name: N,N-dibutyl-2-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine IUPAC Name: N,N-dibutyl-2-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine Traditional Name: dibutyl-(2-phenyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl)amine Formula: C24H31N3S MolecularWeight: 393.58804

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C1=C2C3=C(CCCC3)SC2=NC(=N1)C4=CC=CC=C4

Isomeric SMILES

CCCCN(CCCC)C1=C2C3=C(CCCC3)SC2=NC(=N1)C4=CC=CC=C4

InChI

InChI=1S/C24H31N3S/c1-3-5-16-27(17-6-4-2)23-21-19-14-10-11-15-20(19)28-24(21)26-22(25-23)18-12-8-7-9-13-18/h7-9,12-13H,3-6,10-11,14-17H2,1-2H3