8-[4-[2,5-bis(oxidanylidene)-1-phenyl-pyrrolidin-3-yl]piperazin-1-yl]-1,3-dimethyl-7H-purine-2,6-dione

Systemtic Name: 8-[4-[2,5-bis(oxidanylidene)-1-phenyl-pyrrolidin-3-yl]piperazin-1-yl]-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-[4-(2,5-dioxo-1-phenyl-pyrrolidin-3-yl)piperazin-1-yl]-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-[4-(2,5-dioxo-1-phenyl-3-pyrrolidinyl)-1-piperazinyl]-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-[4-(2,5-dioxo-1-phenylpyrrolidin-3-yl)piperazin-1-yl]-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-[4-(2,5-diketo-1-phenyl-pyrrolidin-3-yl)piperazino]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C21H23N7O4 MolecularWeight: 437.45182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CCN(CC3)C4CC(=O)N(C4=O)C5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CCN(CC3)C4CC(=O)N(C4=O)C5=CC=CC=C5

InChI

InChI=1S/C21H23N7O4/c1-24-17-16(19(31)25(2)21(24)32)22-20(23-17)27-10-8-26(9-11-27)14-12-15(29)28(18(14)30)13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3,(H,22,23)