N-phenethyl-2-pyridin-3-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine

Systemtic Name: N-phenethyl-2-pyridin-3-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine Openeye Name: N-phenethyl-2-(3-pyridyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-amine CAS Name: N-phenethyl-2-(3-pyridinyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine IUPAC Name: N-phenethyl-2-pyridin-3-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine Traditional Name: phenethyl-[2-(3-pyridyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl]amine Formula: C23H22N4S MolecularWeight: 386.51258

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(N=C(N=C3S2)C4=CN=CC=C4)NCCC5=CC=CC=C5

Isomeric SMILES

C1CCC2=C(C1)C3=C(N=C(N=C3S2)C4=CN=CC=C4)NCCC5=CC=CC=C5

InChI

InChI=1S/C23H22N4S/c1-2-7-16(8-3-1)12-14-25-22-20-18-10-4-5-11-19(18)28-23(20)27-21(26-22)17-9-6-13-24-15-17/h1-3,6-9,13,15H,4-5,10-12,14H2,(H,25,26,27)