8-[5-[2,5-bis(oxidanylidene)pyrrol-1-yl]pentyl]-1,3-dipropyl-7H-purine-2,6-dione

Systemtic Name: 8-[5-[2,5-bis(oxidanylidene)pyrrol-1-yl]pentyl]-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 8-[5-(2,5-dioxopyrrol-1-yl)pentyl]-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 8-[5-(2,5-dioxo-1-pyrrolyl)pentyl]-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-[5-(2,5-dioxopyrrol-1-yl)pentyl]-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 8-(5-maleimidopentyl)-1,3-dipropyl-7H-purine-2,6-quinone Formula: C20H27N5O4 MolecularWeight: 401.45948

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)CCCCCN3C(=O)C=CC3=O

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)CCCCCN3C(=O)C=CC3=O

InChI

InChI=1S/C20H27N5O4/c1-3-11-24-18-17(19(28)25(12-4-2)20(24)29)21-14(22-18)8-6-5-7-13-23-15(26)9-10-16(23)27/h9-10H,3-8,11-13H2,1-2H3,(H,21,22)