3-(furan-2-ylmethyl)-7-methyl-1-propyl-8-(thiophen-2-ylmethyl)purine-2,6-dione

Systemtic Name: 3-(furan-2-ylmethyl)-7-methyl-1-propyl-8-(thiophen-2-ylmethyl)purine-2,6-dione Openeye Name: 3-(2-furylmethyl)-7-methyl-1-propyl-8-(2-thienylmethyl)purine-2,6-dione CAS Name: 3-(2-furanylmethyl)-7-methyl-1-propyl-8-(thiophen-2-ylmethyl)purine-2,6-dione IUPAC Name: 3-(furan-2-ylmethyl)-7-methyl-1-propyl-8-(thiophen-2-ylmethyl)purine-2,6-dione Traditional Name: 3-(2-furfuryl)-7-methyl-1-propyl-8-(2-thenyl)xanthine Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2C)CC3=CC=CS3)N(C1=O)CC4=CC=CO4

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2C)CC3=CC=CS3)N(C1=O)CC4=CC=CO4

InChI

InChI=1S/C19H20N4O3S/c1-3-8-22-18(24)16-17(23(19(22)25)12-13-6-4-9-26-13)20-15(21(16)2)11-14-7-5-10-27-14/h4-7,9-10H,3,8,11-12H2,1-2H3