3-[[1-cyclopropyl-3-(3-methoxyphenyl)-2,6-bis(oxidanylidene)purin-7-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[1-cyclopropyl-3-(3-methoxyphenyl)-2,6-bis(oxidanylidene)purin-7-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[1-cyclopropyl-3-(3-methoxyphenyl)-2,6-dioxo-purin-7-yl]methyl]benzonitrile CAS Name: 3-[[1-cyclopropyl-3-(3-methoxyphenyl)-2,6-dioxo-7-purinyl]methyl]benzonitrile IUPAC Name: 3-[[1-cyclopropyl-3-(3-methoxyphenyl)-2,6-dioxopurin-7-yl]methyl]benzonitrile Traditional Name: 3-[[1-cyclopropyl-2,6-diketo-3-(3-methoxyphenyl)purin-7-yl]methyl]benzonitrile Formula: C23H19N5O3 MolecularWeight: 413.42866

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C3=C(C(=O)N(C2=O)C4CC4)N(C=N3)CC5=CC=CC(=C5)C#N

Isomeric SMILES

COC1=CC=CC(=C1)N2C3=C(C(=O)N(C2=O)C4CC4)N(C=N3)CC5=CC=CC(=C5)C#N

InChI

InChI=1S/C23H19N5O3/c1-31-19-7-3-6-18(11-19)27-21-20(22(29)28(23(27)30)17-8-9-17)26(14-25-21)13-16-5-2-4-15(10-16)12-24/h2-7,10-11,14,17H,8-9,13H2,1H3