4-[1-[3-(2-methylpropyl)-2,6-bis(oxidanylidene)-7H-purin-8-yl]ethyl]isoquinoline-6-carbonitrile

Systemtic Name: 4-[1-[3-(2-methylpropyl)-2,6-bis(oxidanylidene)-7H-purin-8-yl]ethyl]isoquinoline-6-carbonitrile Openeye Name: 4-[1-(3-isobutyl-2,6-dioxo-7H-purin-8-yl)ethyl]isoquinoline-6-carbonitrile CAS Name: 4-[1-[3-(2-methylpropyl)-2,6-dioxo-7H-purin-8-yl]ethyl]-6-isoquinolinecarbonitrile IUPAC Name: 4-[1-[3-(2-methylpropyl)-2,6-dioxo-7H-purin-8-yl]ethyl]isoquinoline-6-carbonitrile Traditional Name: 4-[1-(3-isobutyl-2,6-diketo-7H-purin-8-yl)ethyl]isoquinoline-6-carbonitrile Formula: C21H20N6O2 MolecularWeight: 388.4225

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)NC1=O)NC(=N2)C(C)C3=C4C=C(C=CC4=CN=C3)C#N

Isomeric SMILES

CC(C)CN1C2=C(C(=O)NC1=O)NC(=N2)C(C)C3=C4C=C(C=CC4=CN=C3)C#N

InChI

InChI=1S/C21H20N6O2/c1-11(2)10-27-19-17(20(28)26-21(27)29)24-18(25-19)12(3)16-9-23-8-14-5-4-13(7-22)6-15(14)16/h4-6,8-9,11-12H,10H2,1-3H3,(H,24,25)(H,26,28,29)