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

Systemtic Name: 4-[[7-butyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-8-yl]methoxy]-3-chloranyl-benzenecarbonitrile Openeye Name: 4-[(3-benzyl-7-butyl-2,6-dioxo-purin-8-yl)methoxy]-3-chloro-benzonitrile CAS Name: 4-[[7-butyl-2,6-dioxo-3-(phenylmethyl)-8-purinyl]methoxy]-3-chlorobenzonitrile IUPAC Name: 4-[(3-benzyl-7-butyl-2,6-dioxopurin-8-yl)methoxy]-3-chlorobenzonitrile Traditional Name: 4-[(3-benzyl-7-butyl-2,6-diketo-purin-8-yl)methoxy]-3-chloro-benzonitrile Formula: C24H22ClN5O3 MolecularWeight: 463.91618

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H22ClN5O3/c1-2-3-11-29-20(15-33-19-10-9-17(13-26)12-18(19)25)27-22-21(29)23(31)28-24(32)30(22)14-16-7-5-4-6-8-16/h4-10,12H,2-3,11,14-15H2,1H3,(H,28,31,32)