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

Systemtic Name: 8-(furan-2-ylmethylamino)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione Openeye Name: 8-(2-furylmethylamino)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione CAS Name: 8-(2-furanylmethylamino)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione IUPAC Name: 8-(furan-2-ylmethylamino)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione Traditional Name: 8-(2-furfurylamino)-3-methyl-7-(3-phenylpropyl)xanthine Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CC=CO3)CCCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CC=CO3)CCCC4=CC=CC=C4

InChI

InChI=1S/C20H21N5O3/c1-24-17-16(18(26)23-20(24)27)25(11-5-9-14-7-3-2-4-8-14)19(22-17)21-13-15-10-6-12-28-15/h2-4,6-8,10,12H,5,9,11,13H2,1H3,(H,21,22)(H,23,26,27)