4-[8-cyclopentyl-2,6-bis(oxidanylidene)-1-propyl-7H-purin-3-yl]butanenitrile

Systemtic Name: 4-[8-cyclopentyl-2,6-bis(oxidanylidene)-1-propyl-7H-purin-3-yl]butanenitrile Openeye Name: 4-(8-cyclopentyl-2,6-dioxo-1-propyl-7H-purin-3-yl)butanenitrile CAS Name: 4-(8-cyclopentyl-2,6-dioxo-1-propyl-7H-purin-3-yl)butanenitrile IUPAC Name: 4-(8-cyclopentyl-2,6-dioxo-1-propyl-7H-purin-3-yl)butanenitrile Traditional Name: 4-(8-cyclopentyl-2,6-diketo-1-propyl-7H-purin-3-yl)butyronitrile Formula: C17H23N5O2 MolecularWeight: 329.39682

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2)C3CCCC3)N(C1=O)CCCC#N

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2)C3CCCC3)N(C1=O)CCCC#N

InChI

InChI=1S/C17H23N5O2/c1-2-10-22-16(23)13-15(21(17(22)24)11-6-5-9-18)20-14(19-13)12-7-3-4-8-12/h12H,2-8,10-11H2,1H3,(H,19,20)