ethyl 4-azanyl-2-[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-[methyl-[(1-phenyl-4-pyrazolyl)methyl]amino]-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-keto-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C20H22N6O3S MolecularWeight: 426.49208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)N(C)CC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)N(C)CC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H22N6O3S/c1-3-29-19(28)16-10-22-20(24-18(16)21)30-13-17(27)25(2)11-14-9-23-26(12-14)15-7-5-4-6-8-15/h4-10,12H,3,11,13H2,1-2H3,(H2,21,22,24)