ethyl 2-[2-[[4-(1-adamantyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-4-azanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-[2-[[4-(1-adamantyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-4-azanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 2-[2-[4-(1-adamantyl)anilino]-2-oxo-ethyl]sulfanyl-4-amino-pyrimidine-5-carboxylate CAS Name: 2-[[2-[4-(1-adamantyl)anilino]-2-oxoethyl]thio]-4-amino-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-[4-(1-adamantyl)anilino]-2-oxoethyl]sulfanyl-4-aminopyrimidine-5-carboxylate Traditional Name: 2-[[2-[4-(1-adamantyl)anilino]-2-keto-ethyl]thio]-4-amino-pyrimidine-5-carboxylic acid ethyl ester Formula: C25H30N4O3S MolecularWeight: 466.5957

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H30N4O3S/c1-2-32-23(31)20-13-27-24(29-22(20)26)33-14-21(30)28-19-5-3-18(4-6-19)25-10-15-7-16(11-25)9-17(8-15)12-25/h3-6,13,15-17H,2,7-12,14H2,1H3,(H,28,30)(H2,26,27,29)