ethyl 4-azanyl-2-[2-[(6,6-dimethyl-4-oxidanylidene-5,7-dihydro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-[(6,6-dimethyl-4-oxidanylidene-5,7-dihydro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-[(6,6-dimethyl-4-oxo-5,7-dihydro-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-[(6,6-dimethyl-4-oxo-5,7-dihydro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-[(6,6-dimethyl-4-oxo-5,7-dihydro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-keto-2-[(4-keto-6,6-dimethyl-5,7-dihydro-1,3-benzothiazol-2-yl)amino]ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C18H21N5O4S2 MolecularWeight: 435.52044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=NC3=C(S2)CC(CC3=O)(C)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=NC3=C(S2)CC(CC3=O)(C)C

InChI

InChI=1S/C18H21N5O4S2/c1-4-27-15(26)9-7-20-16(23-14(9)19)28-8-12(25)21-17-22-13-10(24)5-18(2,3)6-11(13)29-17/h7H,4-6,8H2,1-3H3,(H2,19,20,23)(H,21,22,25)