6-(benzotriazol-1-ylmethyl)-3-methyl-2,4-bis(oxidanylidene)-1-propan-2-yl-thieno[2,3-d]pyrimidine-5-carboxylic acid

Systemtic Name: 6-(benzotriazol-1-ylmethyl)-3-methyl-2,4-bis(oxidanylidene)-1-propan-2-yl-thieno[2,3-d]pyrimidine-5-carboxylic acid Openeye Name: 6-(benzotriazol-1-ylmethyl)-1-isopropyl-3-methyl-2,4-dioxo-thieno[2,3-d]pyrimidine-5-carboxylic acid CAS Name: 6-(1-benzotriazolylmethyl)-3-methyl-2,4-dioxo-1-propan-2-yl-5-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 6-(benzotriazol-1-ylmethyl)-3-methyl-2,4-dioxo-1-propan-2-ylthieno[2,3-d]pyrimidine-5-carboxylic acid Traditional Name: 6-(benzotriazol-1-ylmethyl)-1-isopropyl-2,4-diketo-3-methyl-thieno[2,3-d]pyrimidine-5-carboxylic acid Formula: C18H17N5O4S MolecularWeight: 399.42368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C(=C(S2)CN3C4=CC=CC=C4N=N3)C(=O)O)C(=O)N(C1=O)C

Isomeric SMILES

CC(C)N1C2=C(C(=C(S2)CN3C4=CC=CC=C4N=N3)C(=O)O)C(=O)N(C1=O)C

InChI

InChI=1S/C18H17N5O4S/c1-9(2)23-16-14(15(24)21(3)18(23)27)13(17(25)26)12(28-16)8-22-11-7-5-4-6-10(11)19-20-22/h4-7,9H,8H2,1-3H3,(H,25,26)