7-(4-bromophenyl)-4-methyl-2-(phenylmethylsulfanyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine

Systemtic Name: 7-(4-bromophenyl)-4-methyl-2-(phenylmethylsulfanyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine Openeye Name: 2-benzylsulfanyl-7-(4-bromophenyl)-4-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine CAS Name: 7-(4-bromophenyl)-4-methyl-2-(phenylmethylthio)-5,6-dihydropyrrolo[2,3-d]pyrimidine IUPAC Name: 2-benzylsulfanyl-7-(4-bromophenyl)-4-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine Traditional Name: 2-(benzylthio)-7-(4-bromophenyl)-4-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine Formula: C20H18BrN3S MolecularWeight: 412.34602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCN(C2=NC(=N1)SCC3=CC=CC=C3)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=C2CCN(C2=NC(=N1)SCC3=CC=CC=C3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C20H18BrN3S/c1-14-18-11-12-24(17-9-7-16(21)8-10-17)19(18)23-20(22-14)25-13-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3