5,6-diphenyl-7-(phenylmethyl)-1H-pyrrolo[2,3-d]pyrimidine-4-thione

Systemtic Name: 5,6-diphenyl-7-(phenylmethyl)-1H-pyrrolo[2,3-d]pyrimidine-4-thione Openeye Name: 7-benzyl-5,6-diphenyl-1H-pyrrolo[2,3-d]pyrimidine-4-thione CAS Name: 5,6-diphenyl-7-(phenylmethyl)-1H-pyrrolo[2,3-d]pyrimidine-4-thione IUPAC Name: 7-benzyl-5,6-diphenyl-1H-pyrrolo[2,3-d]pyrimidine-4-thione Traditional Name: 7-benzyl-5,6-diphenyl-1H-pyrrolo[2,3-d]pyrimidine-4-thione Formula: C25H19N3S MolecularWeight: 393.50346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=C(C3=C2NC=NC3=S)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=C(C3=C2NC=NC3=S)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H19N3S/c29-25-22-21(19-12-6-2-7-13-19)23(20-14-8-3-9-15-20)28(24(22)26-17-27-25)16-18-10-4-1-5-11-18/h1-15,17H,16H2,(H,26,27,29)