3-methyl-8-(morpholin-4-ium-4-ylmethyl)-7-phenethyl-purine-2,6-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)C[NH+]3CCOCC3)CCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)C[NH+]3CCOCC3)CCC4=CC=CC=C4

InChI

InChI=1S/C19H23N5O3/c1-22-17-16(18(25)21-19(22)26)24(8-7-14-5-3-2-4-6-14)15(20-17)13-23-9-11-27-12-10-23/h2-6H,7-13H2,1H3,(H,21,25,26)/p+1