methyl 4-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylate

Systemtic Name: methyl 4-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylate Openeye Name: methyl 4-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylate CAS Name: 4-[[2-(1-adamantylamino)-2-oxoethyl]thio]-2-cyclopropyl-6-methyl-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-2-cyclopropyl-6-methylpyrimidine-5-carboxylate Traditional Name: 4-[[2-(1-adamantylamino)-2-keto-ethyl]thio]-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylic acid methyl ester Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2CC2)SCC(=O)NC34CC5CC(C3)CC(C5)C4)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC(=N1)C2CC2)SCC(=O)NC34CC5CC(C3)CC(C5)C4)C(=O)OC

InChI

InChI=1S/C22H29N3O3S/c1-12-18(21(27)28-2)20(24-19(23-12)16-3-4-16)29-11-17(26)25-22-8-13-5-14(9-22)7-15(6-13)10-22/h13-16H,3-11H2,1-2H3,(H,25,26)