4-[7-(3-methoxypropyl)-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-8-yl]benzenecarbonitrile

Systemtic Name: 4-[7-(3-methoxypropyl)-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-8-yl]benzenecarbonitrile Openeye Name: 4-[3-benzyl-7-(3-methoxypropyl)-2,6-dioxo-purin-8-yl]benzonitrile CAS Name: 4-[7-(3-methoxypropyl)-2,6-dioxo-3-(phenylmethyl)-8-purinyl]benzonitrile IUPAC Name: 4-[3-benzyl-7-(3-methoxypropyl)-2,6-dioxopurin-8-yl]benzonitrile Traditional Name: 4-[3-benzyl-2,6-diketo-7-(3-methoxypropyl)purin-8-yl]benzonitrile Formula: C23H21N5O3 MolecularWeight: 415.44454

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C2=C(N=C1C3=CC=C(C=C3)C#N)N(C(=O)NC2=O)CC4=CC=CC=C4

Isomeric SMILES

COCCCN1C2=C(N=C1C3=CC=C(C=C3)C#N)N(C(=O)NC2=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H21N5O3/c1-31-13-5-12-27-19-21(25-20(27)18-10-8-16(14-24)9-11-18)28(23(30)26-22(19)29)15-17-6-3-2-4-7-17/h2-4,6-11H,5,12-13,15H2,1H3,(H,26,29,30)