2-[(4-ethenylphenyl)methylsulfanyl]-3-(3-methoxypropyl)-5-methyl-7-phenyl-pyrrolo[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[(4-ethenylphenyl)methylsulfanyl]-3-(3-methoxypropyl)-5-methyl-7-phenyl-pyrrolo[3,2-d]pyrimidin-4-one Openeye Name: 3-(3-methoxypropyl)-5-methyl-7-phenyl-2-[(4-vinylphenyl)methylsulfanyl]pyrrolo[3,2-d]pyrimidin-4-one CAS Name: 2-[(4-ethenylphenyl)methylthio]-3-(3-methoxypropyl)-5-methyl-7-phenyl-4-pyrrolo[3,2-d]pyrimidinone IUPAC Name: 2-[(4-ethenylphenyl)methylsulfanyl]-3-(3-methoxypropyl)-5-methyl-7-phenylpyrrolo[3,2-d]pyrimidin-4-one Traditional Name: 3-(3-methoxypropyl)-5-methyl-7-phenyl-2-[(4-vinylbenzyl)thio]pyrrolo[3,2-d]pyrimidin-4-one Formula: C26H27N3O2S MolecularWeight: 445.57648

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C1C(=O)N(C(=N2)SCC3=CC=C(C=C3)C=C)CCCOC)C4=CC=CC=C4

Isomeric SMILES

CN1C=C(C2=C1C(=O)N(C(=N2)SCC3=CC=C(C=C3)C=C)CCCOC)C4=CC=CC=C4

InChI

InChI=1S/C26H27N3O2S/c1-4-19-11-13-20(14-12-19)18-32-26-27-23-22(21-9-6-5-7-10-21)17-28(2)24(23)25(30)29(26)15-8-16-31-3/h4-7,9-14,17H,1,8,15-16,18H2,2-3H3