ethyl 4-[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl]sulfanyl-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 4-[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl]sulfanyl-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-(1-allophanoyl-2-methyl-propyl)sulfanyl-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-[[1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl]thio]-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl]sulfanyl-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-[(1-allophanoyl-2-methyl-propyl)thio]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C17H22N4O4S2 MolecularWeight: 410.51098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(N=C2SC(C(C)C)C(=O)NC(=O)N)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(N=C2SC(C(C)C)C(=O)NC(=O)N)C)C

InChI

InChI=1S/C17H22N4O4S2/c1-6-25-16(23)12-8(4)10-14(19-9(5)20-15(10)27-12)26-11(7(2)3)13(22)21-17(18)24/h7,11H,6H2,1-5H3,(H3,18,21,22,24)