1-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl]-3-butyl-7-cyclopentyl-purine-2,6-dione

Systemtic Name: 1-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl]-3-butyl-7-cyclopentyl-purine-2,6-dione Openeye Name: 3-butyl-7-cyclopentyl-1-[4-(1,3-dioxoisoindolin-2-yl)butyl]purine-2,6-dione CAS Name: 3-butyl-7-cyclopentyl-1-[4-(1,3-dioxo-2-isoindolyl)butyl]purine-2,6-dione IUPAC Name: 3-butyl-7-cyclopentyl-1-[4-(1,3-dioxoisoindol-2-yl)butyl]purine-2,6-dione Traditional Name: 3-butyl-7-cyclopentyl-1-(4-phthalimidobutyl)xanthine Formula: C26H31N5O4 MolecularWeight: 477.55544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CCCCN3C(=O)C4=CC=CC=C4C3=O)N(C=N2)C5CCCC5

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CCCCN3C(=O)C4=CC=CC=C4C3=O)N(C=N2)C5CCCC5

InChI

InChI=1S/C26H31N5O4/c1-2-3-14-28-22-21(31(17-27-22)18-10-4-5-11-18)25(34)30(26(28)35)16-9-8-15-29-23(32)19-12-6-7-13-20(19)24(29)33/h6-7,12-13,17-18H,2-5,8-11,14-16H2,1H3