ethyl 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-4-azanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-4-azanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-4-amino-pyrimidine-5-carboxylate CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]-4-amino-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-4-aminopyrimidine-5-carboxylate Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]-4-amino-pyrimidine-5-carboxylic acid ethyl ester Formula: C19H26N4O3S MolecularWeight: 390.49974

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C19H26N4O3S/c1-2-26-17(25)14-9-21-18(22-16(14)20)27-10-15(24)23-19-6-11-3-12(7-19)5-13(4-11)8-19/h9,11-13H,2-8,10H2,1H3,(H,23,24)(H2,20,21,22)