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

Systemtic Name: 4-(4-methoxyphenyl)sulfanyl-5,6-diphenyl-7-(phenylmethyl)pyrrolo[2,3-d]pyrimidine Openeye Name: 7-benzyl-4-(4-methoxyphenyl)sulfanyl-5,6-diphenyl-pyrrolo[2,3-d]pyrimidine CAS Name: 4-[(4-methoxyphenyl)thio]-5,6-diphenyl-7-(phenylmethyl)pyrrolo[2,3-d]pyrimidine IUPAC Name: 7-benzyl-4-(4-methoxyphenyl)sulfanyl-5,6-diphenylpyrrolo[2,3-d]pyrimidine Traditional Name: 7-benzyl-4-[(4-methoxyphenyl)thio]-5,6-diphenyl-pyrrolo[2,3-d]pyrimidine Formula: C32H25N3OS MolecularWeight: 499.6254

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SC2=NC=NC3=C2C(=C(N3CC4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

COC1=CC=C(C=C1)SC2=NC=NC3=C2C(=C(N3CC4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C32H25N3OS/c1-36-26-17-19-27(20-18-26)37-32-29-28(24-13-7-3-8-14-24)30(25-15-9-4-10-16-25)35(31(29)33-22-34-32)21-23-11-5-2-6-12-23/h2-20,22H,21H2,1H3