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

Systemtic Name: ethyl 2-[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-4-azanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 2-[(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl]sulfanyl-4-amino-pyrimidine-5-carboxylate CAS Name: 2-[[(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl]thio]-4-amino-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl]sulfanyl-4-aminopyrimidine-5-carboxylate Traditional Name: 2-[[(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl]thio]-4-amino-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H28N4O3S MolecularWeight: 404.52632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)S[C@H](C)C(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H28N4O3S/c1-3-27-18(26)15-10-22-19(23-16(15)21)28-11(2)17(25)24-20-7-12-4-13(8-20)6-14(5-12)9-20/h10-14H,3-9H2,1-2H3,(H,24,25)(H2,21,22,23)/t11-,12?,13?,14?,20?/m1/s1