1-[3-[furan-2-ylmethyl(methyl)amino]propyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[3-[furan-2-ylmethyl(methyl)amino]propyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[3-[2-furylmethyl(methyl)amino]propyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[3-[2-furanylmethyl(methyl)amino]propyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[3-[furan-2-ylmethyl(methyl)amino]propyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[3-[2-furfuryl(methyl)amino]propyl]-3,7-dimethyl-xanthine Formula: C16H21N5O3 MolecularWeight: 331.36964

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCN(C)CC3=CC=CO3

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCN(C)CC3=CC=CO3

InChI

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