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

Systemtic Name: 4-[[7-butyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-8-yl]methoxy]-3-methoxy-benzenecarbonitrile Openeye Name: 4-[(3-benzyl-7-butyl-2,6-dioxo-purin-8-yl)methoxy]-3-methoxy-benzonitrile CAS Name: 4-[[7-butyl-2,6-dioxo-3-(phenylmethyl)-8-purinyl]methoxy]-3-methoxybenzonitrile IUPAC Name: 4-[(3-benzyl-7-butyl-2,6-dioxopurin-8-yl)methoxy]-3-methoxybenzonitrile Traditional Name: 4-[(3-benzyl-7-butyl-2,6-diketo-purin-8-yl)methoxy]-3-methoxy-benzonitrile Formula: C25H25N5O4 MolecularWeight: 459.4971

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3)COC4=C(C=C(C=C4)C#N)OC

Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3)COC4=C(C=C(C=C4)C#N)OC

InChI

InChI=1S/C25H25N5O4/c1-3-4-12-29-21(16-34-19-11-10-18(14-26)13-20(19)33-2)27-23-22(29)24(31)28-25(32)30(23)15-17-8-6-5-7-9-17/h5-11,13H,3-4,12,15-16H2,1-2H3,(H,28,31,32)