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

Systemtic Name: 4-[[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methoxy]-3-chloranyl-benzenecarbonitrile Openeye Name: 4-[(3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methoxy]-3-chloro-benzonitrile CAS Name: 4-[(3-butyl-7-ethyl-2,6-dioxo-8-purinyl)methoxy]-3-chlorobenzonitrile IUPAC Name: 4-[(3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methoxy]-3-chlorobenzonitrile Traditional Name: 4-[(3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methoxy]-3-chloro-benzonitrile Formula: C19H20ClN5O3 MolecularWeight: 401.8468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC3=C(C=C(C=C3)C#N)Cl)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC3=C(C=C(C=C3)C#N)Cl)CC

InChI

InChI=1S/C19H20ClN5O3/c1-3-5-8-25-17-16(18(26)23-19(25)27)24(4-2)15(22-17)11-28-14-7-6-12(10-21)9-13(14)20/h6-7,9H,3-5,8,11H2,1-2H3,(H,23,26,27)