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

Systemtic Name: 3-methyl-7-(3-methylbutyl)-8-(morpholin-4-ium-4-ylmethyl)purine-2,6-dione Openeye Name: 7-isopentyl-3-methyl-8-(morpholin-4-ium-4-ylmethyl)purine-2,6-dione CAS Name: 3-methyl-7-(3-methylbutyl)-8-(4-morpholin-4-iumylmethyl)purine-2,6-dione IUPAC Name: 3-methyl-7-(3-methylbutyl)-8-(morpholin-4-ium-4-ylmethyl)purine-2,6-dione Traditional Name: 7-isoamyl-3-methyl-8-(morpholin-4-ium-4-ylmethyl)xanthine Formula: C16H26N5O3+ MolecularWeight: 336.40934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=NC2=C1C(=O)NC(=O)N2C)C[NH+]3CCOCC3

Isomeric SMILES

CC(C)CCN1C(=NC2=C1C(=O)NC(=O)N2C)C[NH+]3CCOCC3

InChI

InChI=1S/C16H25N5O3/c1-11(2)4-5-21-12(10-20-6-8-24-9-7-20)17-14-13(21)15(22)18-16(23)19(14)3/h11H,4-10H2,1-3H3,(H,18,22,23)/p+1