2-methoxyethyl 3-ethyl-4-methyl-6-[4-(pentanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: 2-methoxyethyl 3-ethyl-4-methyl-6-[4-(pentanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl 3-ethyl-4-methyl-6-[4-(pentanoylamino)phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-4-methyl-6-[4-(1-oxopentylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 3-ethyl-4-methyl-6-[4-(pentanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-ethyl-4-methyl-2-thioxo-6-[4-(valerylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C22H31N3O4S MolecularWeight: 433.56424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC=C(C=C1)C2C(=C(N(C(=S)N2)CC)C)C(=O)OCCOC

Isomeric SMILES

CCCCC(=O)NC1=CC=C(C=C1)C2C(=C(N(C(=S)N2)CC)C)C(=O)OCCOC

InChI

InChI=1S/C22H31N3O4S/c1-5-7-8-18(26)23-17-11-9-16(10-12-17)20-19(21(27)29-14-13-28-4)15(3)25(6-2)22(30)24-20/h9-12,20H,5-8,13-14H2,1-4H3,(H,23,26)(H,24,30)