1,3-dimethyl-8-(morpholin-4-ium-4-ylmethyl)-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-(morpholin-4-ium-4-ylmethyl)-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-1,3-dimethyl-8-(morpholin-4-ium-4-ylmethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-8-(4-morpholin-4-iumylmethyl)-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-1,3-dimethyl-8-(morpholin-4-ium-4-ylmethyl)purine-2,6-dione Traditional Name: 7-benzyl-1,3-dimethyl-8-(morpholin-4-ium-4-ylmethyl)xanthine Formula: C19H24N5O3+ MolecularWeight: 370.42556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C[NH+]3CCOCC3)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C[NH+]3CCOCC3)CC4=CC=CC=C4

InChI

InChI=1S/C19H23N5O3/c1-21-17-16(18(25)22(2)19(21)26)24(12-14-6-4-3-5-7-14)15(20-17)13-23-8-10-27-11-9-23/h3-7H,8-13H2,1-2H3/p+1