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

Systemtic Name: 4-(4-chlorophenyl)sulfanyl-5,6-diphenyl-7-(phenylmethyl)pyrrolo[2,3-d]pyrimidine Openeye Name: 7-benzyl-4-(4-chlorophenyl)sulfanyl-5,6-diphenyl-pyrrolo[2,3-d]pyrimidine CAS Name: 4-[(4-chlorophenyl)thio]-5,6-diphenyl-7-(phenylmethyl)pyrrolo[2,3-d]pyrimidine IUPAC Name: 7-benzyl-4-(4-chlorophenyl)sulfanyl-5,6-diphenylpyrrolo[2,3-d]pyrimidine Traditional Name: 7-benzyl-4-[(4-chlorophenyl)thio]-5,6-diphenyl-pyrrolo[2,3-d]pyrimidine Formula: C31H22ClN3S MolecularWeight: 504.04448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=C(C3=C2N=CN=C3SC4=CC=C(C=C4)Cl)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=C(C3=C2N=CN=C3SC4=CC=C(C=C4)Cl)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C31H22ClN3S/c32-25-16-18-26(19-17-25)36-31-28-27(23-12-6-2-7-13-23)29(24-14-8-3-9-15-24)35(30(28)33-21-34-31)20-22-10-4-1-5-11-22/h1-19,21H,20H2