3-(2-methoxyethyl)-7-(phenylmethyl)-8-(1,2,3-thiadiazol-4-yl)purine-2,6-dione

Systemtic Name: 3-(2-methoxyethyl)-7-(phenylmethyl)-8-(1,2,3-thiadiazol-4-yl)purine-2,6-dione Openeye Name: 7-benzyl-3-(2-methoxyethyl)-8-(thiadiazol-4-yl)purine-2,6-dione CAS Name: 3-(2-methoxyethyl)-7-(phenylmethyl)-8-(4-thiadiazolyl)purine-2,6-dione IUPAC Name: 7-benzyl-3-(2-methoxyethyl)-8-(thiadiazol-4-yl)purine-2,6-dione Traditional Name: 7-benzyl-3-(2-methoxyethyl)-8-(thiadiazol-4-yl)xanthine Formula: C17H16N6O3S MolecularWeight: 384.41234

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CSN=N3)CC4=CC=CC=C4

Isomeric SMILES

COCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CSN=N3)CC4=CC=CC=C4

InChI

InChI=1S/C17H16N6O3S/c1-26-8-7-22-15-13(16(24)19-17(22)25)23(9-11-5-3-2-4-6-11)14(18-15)12-10-27-21-20-12/h2-6,10H,7-9H2,1H3,(H,19,24,25)