ethyl 4-azanyl-2-[(2R)-1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[(2R)-1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[(1R)-2-(cyclohexylmethylamino)-1-methyl-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[(2R)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(2R)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[(1R)-2-(cyclohexylmethylamino)-2-keto-1-methyl-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C17H26N4O3S MolecularWeight: 366.47834

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SC(C)C(=O)NCC2CCCCC2

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)S[C@H](C)C(=O)NCC2CCCCC2

InChI

InChI=1S/C17H26N4O3S/c1-3-24-16(23)13-10-20-17(21-14(13)18)25-11(2)15(22)19-9-12-7-5-4-6-8-12/h10-12H,3-9H2,1-2H3,(H,19,22)(H2,18,20,21)/t11-/m1/s1