methyl 4-[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl]sulfanyl-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylate

Systemtic Name: methyl 4-[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl]sulfanyl-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylate Openeye Name: methyl 4-(1-allophanoyl-2-methyl-propyl)sulfanyl-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylate CAS Name: 4-[[1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl]thio]-2-cyclopropyl-6-methyl-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl]sulfanyl-2-cyclopropyl-6-methylpyrimidine-5-carboxylate Traditional Name: 4-[(1-allophanoyl-2-methyl-propyl)thio]-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylic acid methyl ester Formula: C16H22N4O4S MolecularWeight: 366.43528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2CC2)SC(C(C)C)C(=O)NC(=O)N)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC(=N1)C2CC2)SC(C(C)C)C(=O)NC(=O)N)C(=O)OC

InChI

InChI=1S/C16H22N4O4S/c1-7(2)11(13(21)20-16(17)23)25-14-10(15(22)24-4)8(3)18-12(19-14)9-5-6-9/h7,9,11H,5-6H2,1-4H3,(H3,17,20,21,23)