3-methyl-7-prop-2-enyl-8-pyrrolidin-1-yl-purine-2,6-dione

Systemtic Name: 3-methyl-7-prop-2-enyl-8-pyrrolidin-1-yl-purine-2,6-dione Openeye Name: 7-allyl-3-methyl-8-pyrrolidin-1-yl-purine-2,6-dione CAS Name: 3-methyl-7-prop-2-enyl-8-(1-pyrrolidinyl)purine-2,6-dione IUPAC Name: 3-methyl-7-prop-2-enyl-8-pyrrolidin-1-ylpurine-2,6-dione Traditional Name: 7-allyl-3-methyl-8-pyrrolidino-xanthine Formula: C13H17N5O2 MolecularWeight: 275.30638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCC3)CC=C

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCC3)CC=C

InChI

InChI=1S/C13H17N5O2/c1-3-6-18-9-10(16(2)13(20)15-11(9)19)14-12(18)17-7-4-5-8-17/h3H,1,4-8H2,2H3,(H,15,19,20)