2-[4-[2,6-bis(oxidanylidene)-3-(phenylmethyl)-7-propyl-purin-8-yl]-2-methoxy-phenoxy]ethanenitrile

Systemtic Name: 2-[4-[2,6-bis(oxidanylidene)-3-(phenylmethyl)-7-propyl-purin-8-yl]-2-methoxy-phenoxy]ethanenitrile Openeye Name: 2-[4-(3-benzyl-2,6-dioxo-7-propyl-purin-8-yl)-2-methoxy-phenoxy]acetonitrile CAS Name: 2-[4-[2,6-dioxo-3-(phenylmethyl)-7-propyl-8-purinyl]-2-methoxyphenoxy]acetonitrile IUPAC Name: 2-[4-(3-benzyl-2,6-dioxo-7-propylpurin-8-yl)-2-methoxyphenoxy]acetonitrile Traditional Name: 2-[4-(3-benzyl-2,6-diketo-7-propyl-purin-8-yl)-2-methoxy-phenoxy]acetonitrile Formula: C24H23N5O4 MolecularWeight: 445.47052

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1C3=CC(=C(C=C3)OCC#N)OC)N(C(=O)NC2=O)CC4=CC=CC=C4

Isomeric SMILES

CCCN1C2=C(N=C1C3=CC(=C(C=C3)OCC#N)OC)N(C(=O)NC2=O)CC4=CC=CC=C4

InChI

InChI=1S/C24H23N5O4/c1-3-12-28-20-22(29(24(31)27-23(20)30)15-16-7-5-4-6-8-16)26-21(28)17-9-10-18(33-13-11-25)19(14-17)32-2/h4-10,14H,3,12-13,15H2,1-2H3,(H,27,30,31)