8-(furan-2-ylmethylamino)-3-methyl-7-(3-methylbutyl)purine-2,6-dione

Systemtic Name: 8-(furan-2-ylmethylamino)-3-methyl-7-(3-methylbutyl)purine-2,6-dione Openeye Name: 8-(2-furylmethylamino)-7-isopentyl-3-methyl-purine-2,6-dione CAS Name: 8-(2-furanylmethylamino)-3-methyl-7-(3-methylbutyl)purine-2,6-dione IUPAC Name: 8-(furan-2-ylmethylamino)-3-methyl-7-(3-methylbutyl)purine-2,6-dione Traditional Name: 8-(2-furfurylamino)-7-isoamyl-3-methyl-xanthine Formula: C16H21N5O3 MolecularWeight: 331.36964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(N=C1NCC3=CC=CO3)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)CCN1C2=C(N=C1NCC3=CC=CO3)N(C(=O)NC2=O)C

InChI

InChI=1S/C16H21N5O3/c1-10(2)6-7-21-12-13(20(3)16(23)19-14(12)22)18-15(21)17-9-11-5-4-8-24-11/h4-5,8,10H,6-7,9H2,1-3H3,(H,17,18)(H,19,22,23)