5,6-diphenyl-N-(thiolan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

Systemtic Name: 5,6-diphenyl-N-(thiolan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: 5,6-diphenyl-N-(tetrahydrothiophen-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: 5,6-diphenyl-N-(2-thiolanylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine IUPAC Name: 5,6-diphenyl-N-(thiolan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: (5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-(tetrahydrothiophen-2-ylmethyl)amine Formula: C23H22N4S MolecularWeight: 386.51258

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(SC1)CNC2=NC=NC3=C2C(=C(N3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CC(SC1)CNC2=NC=NC3=C2C(=C(N3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

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