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

Systemtic Name: N-phenyl-2-pyridin-3-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine Openeye Name: N-phenyl-2-(3-pyridyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-amine CAS Name: N-phenyl-2-(3-pyridinyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine IUPAC Name: N-phenyl-2-pyridin-3-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine Traditional Name: phenyl-[2-(3-pyridyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl]amine Formula: C21H18N4S MolecularWeight: 358.45942

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(N=C(N=C3S2)C4=CN=CC=C4)NC5=CC=CC=C5

Isomeric SMILES

C1CCC2=C(C1)C3=C(N=C(N=C3S2)C4=CN=CC=C4)NC5=CC=CC=C5

InChI

InChI=1S/C21H18N4S/c1-2-8-15(9-3-1)23-20-18-16-10-4-5-11-17(16)26-21(18)25-19(24-20)14-7-6-12-22-13-14/h1-3,6-9,12-13H,4-5,10-11H2,(H,23,24,25)