5,6-bis(4-methoxyphenyl)-7-phenethyl-1H-pyrrolo[2,3-d]pyrimidin-4-one

Systemtic Name: 5,6-bis(4-methoxyphenyl)-7-phenethyl-1H-pyrrolo[2,3-d]pyrimidin-4-one Openeye Name: 5,6-bis(4-methoxyphenyl)-7-phenethyl-1H-pyrrolo[2,3-d]pyrimidin-4-one CAS Name: 5,6-bis(4-methoxyphenyl)-7-phenethyl-1H-pyrrolo[2,3-d]pyrimidin-4-one IUPAC Name: 5,6-bis(4-methoxyphenyl)-7-phenethyl-1H-pyrrolo[2,3-d]pyrimidin-4-one Traditional Name: 5,6-bis(4-methoxyphenyl)-7-phenethyl-1H-pyrrolo[2,3-d]pyrimidin-4-one Formula: C28H25N3O3 MolecularWeight: 451.5164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(N(C3=C2C(=O)N=CN3)CCC4=CC=CC=C4)C5=CC=C(C=C5)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(N(C3=C2C(=O)N=CN3)CCC4=CC=CC=C4)C5=CC=C(C=C5)OC

InChI

InChI=1S/C28H25N3O3/c1-33-22-12-8-20(9-13-22)24-25-27(29-18-30-28(25)32)31(17-16-19-6-4-3-5-7-19)26(24)21-10-14-23(34-2)15-11-21/h3-15,18H,16-17H2,1-2H3,(H,29,30,32)