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

Systemtic Name: 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-4-azanyl-pyrimidine-5-carboxylate Openeye Name: 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-pyrimidinecarboxylate IUPAC Name: 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-carboxylate Formula: C17H21N4O3S- MolecularWeight: 361.43864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=NC=C(C(=N4)N)C(=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=NC=C(C(=N4)N)C(=O)[O-]

InChI

InChI=1S/C17H22N4O3S/c18-14-12(15(23)24)7-19-16(20-14)25-8-13(22)21-17-4-9-1-10(5-17)3-11(2-9)6-17/h7,9-11H,1-6,8H2,(H,21,22)(H,23,24)(H2,18,19,20)/p-1