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

Systemtic Name: N-phenethyl-2-pyridin-4-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine Openeye Name: N-phenethyl-2-(4-pyridyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-amine CAS Name: N-phenethyl-2-pyridin-4-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine IUPAC Name: N-phenethyl-2-pyridin-4-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine Traditional Name: phenethyl-[2-(4-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=CC=NC=C4)NCCC5=CC=CC=C5

Isomeric SMILES

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

InChI

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