8-[4-[(2-azanyl-4-methyl-1,3-thiazol-5-yl)methyl]phenoxy]-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-[4-[(2-azanyl-4-methyl-1,3-thiazol-5-yl)methyl]phenoxy]-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-[4-[(2-amino-4-methyl-thiazol-5-yl)methyl]phenoxy]-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[4-[(2-amino-4-methyl-5-thiazolyl)methyl]phenoxy]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[4-[(2-amino-4-methyl-1,3-thiazol-5-yl)methyl]phenoxy]-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[4-[(2-amino-4-methyl-thiazol-5-yl)methyl]phenoxy]-1,3,7-trimethyl-xanthine Formula: C19H20N6O3S MolecularWeight: 412.4655

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)N)CC2=CC=C(C=C2)OC3=NC4=C(N3C)C(=O)N(C(=O)N4C)C

Isomeric SMILES

CC1=C(SC(=N1)N)CC2=CC=C(C=C2)OC3=NC4=C(N3C)C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C19H20N6O3S/c1-10-13(29-17(20)21-10)9-11-5-7-12(8-6-11)28-18-22-15-14(23(18)2)16(26)25(4)19(27)24(15)3/h5-8H,9H2,1-4H3,(H2,20,21)