2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl 5-azanyl-3-methyl-1,2-thiazole-4-carboxylate

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl 5-azanyl-3-methyl-1,2-thiazole-4-carboxylate Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethyl 5-amino-3-methyl-isothiazole-4-carboxylate CAS Name: 5-amino-3-methyl-4-isothiazolecarboxylic acid 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)ethyl ester IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate Traditional Name: 5-amino-3-methyl-isothiazole-4-carboxylic acid 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)ethyl ester Formula: C14H16N6O4S MolecularWeight: 364.37964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=C1C(=O)OCCN2C=NC3=C2C(=O)N(C(=O)N3C)C)N

Isomeric SMILES

CC1=NSC(=C1C(=O)OCCN2C=NC3=C2C(=O)N(C(=O)N3C)C)N

InChI

InChI=1S/C14H16N6O4S/c1-7-8(10(15)25-17-7)13(22)24-5-4-20-6-16-11-9(20)12(21)19(3)14(23)18(11)2/h6H,4-5,15H2,1-3H3