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

Systemtic Name: 1,3-dimethyl-8-(morpholin-4-ium-4-ylmethyl)-7-phenacyl-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-(morpholin-4-ium-4-ylmethyl)-7-phenacyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-(4-morpholin-4-iumylmethyl)-7-phenacylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(morpholin-4-ium-4-ylmethyl)-7-phenacylpurine-2,6-dione Traditional Name: 1,3-dimethyl-8-(morpholin-4-ium-4-ylmethyl)-7-phenacyl-xanthine Formula: C20H24N5O4+ MolecularWeight: 398.43566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O4/c1-22-18-17(19(27)23(2)20(22)28)25(12-15(26)14-6-4-3-5-7-14)16(21-18)13-24-8-10-29-11-9-24/h3-7H,8-13H2,1-2H3/p+1