4-(4-bromophenyl)sulfanyl-5,6-dimethyl-7-(phenylmethyl)pyrrolo[2,3-d]pyrimidine

Systemtic Name: 4-(4-bromophenyl)sulfanyl-5,6-dimethyl-7-(phenylmethyl)pyrrolo[2,3-d]pyrimidine Openeye Name: 7-benzyl-4-(4-bromophenyl)sulfanyl-5,6-dimethyl-pyrrolo[2,3-d]pyrimidine CAS Name: 4-[(4-bromophenyl)thio]-5,6-dimethyl-7-(phenylmethyl)pyrrolo[2,3-d]pyrimidine IUPAC Name: 7-benzyl-4-(4-bromophenyl)sulfanyl-5,6-dimethylpyrrolo[2,3-d]pyrimidine Traditional Name: 7-benzyl-4-[(4-bromophenyl)thio]-5,6-dimethyl-pyrrolo[2,3-d]pyrimidine Formula: C21H18BrN3S MolecularWeight: 424.35672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=NC=N2)SC3=CC=C(C=C3)Br)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(N(C2=C1C(=NC=N2)SC3=CC=C(C=C3)Br)CC4=CC=CC=C4)C

InChI

InChI=1S/C21H18BrN3S/c1-14-15(2)25(12-16-6-4-3-5-7-16)20-19(14)21(24-13-23-20)26-18-10-8-17(22)9-11-18/h3-11,13H,12H2,1-2H3