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

Systemtic Name: 8-[[2,5-bis(oxidanylidene)pyrrol-1-yl]methyl]-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 8-[(2,5-dioxopyrrol-1-yl)methyl]-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 8-[(2,5-dioxo-1-pyrrolyl)methyl]-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-[(2,5-dioxopyrrol-1-yl)methyl]-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 8-(maleimidomethyl)-1,3-dipropyl-7H-purine-2,6-quinone Formula: C16H19N5O4 MolecularWeight: 345.35316

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)CN3C(=O)C=CC3=O

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)CN3C(=O)C=CC3=O

InChI

InChI=1S/C16H19N5O4/c1-3-7-19-14-13(15(24)20(8-4-2)16(19)25)17-10(18-14)9-21-11(22)5-6-12(21)23/h5-6H,3-4,7-9H2,1-2H3,(H,17,18)