4-chloranyl-6-ethyl-2-methylsulfanyl-7-(phenylmethyl)pyrrolo[2,3-d]pyrimidine

Systemtic Name: 4-chloranyl-6-ethyl-2-methylsulfanyl-7-(phenylmethyl)pyrrolo[2,3-d]pyrimidine Openeye Name: 7-benzyl-4-chloro-6-ethyl-2-methylsulfanyl-pyrrolo[2,3-d]pyrimidine CAS Name: 4-chloro-6-ethyl-2-(methylthio)-7-(phenylmethyl)pyrrolo[2,3-d]pyrimidine IUPAC Name: 7-benzyl-4-chloro-6-ethyl-2-methylsulfanylpyrrolo[2,3-d]pyrimidine Traditional Name: 7-benzyl-4-chloro-6-ethyl-2-(methylthio)pyrrolo[2,3-d]pyrimidine Formula: C16H16ClN3S MolecularWeight: 317.83634

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(N1CC3=CC=CC=C3)N=C(N=C2Cl)SC

Isomeric SMILES

CCC1=CC2=C(N1CC3=CC=CC=C3)N=C(N=C2Cl)SC

InChI

InChI=1S/C16H16ClN3S/c1-3-12-9-13-14(17)18-16(21-2)19-15(13)20(12)10-11-7-5-4-6-8-11/h4-9H,3,10H2,1-2H3