propan-2-yl 3-ethyl-6-[4-(2-ethylhexanoylamino)phenyl]-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: propan-2-yl 3-ethyl-6-[4-(2-ethylhexanoylamino)phenyl]-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isopropyl 3-ethyl-6-[4-(2-ethylhexanoylamino)phenyl]-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-6-[4-[(2-ethyl-1-oxohexyl)amino]phenyl]-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-ethyl-6-[4-(2-ethylhexanoylamino)phenyl]-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-ethyl-6-[4-(2-ethylhexanoylamino)phenyl]-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid isopropyl ester Formula: C25H37N3O3S MolecularWeight: 459.64458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H37N3O3S/c1-7-10-11-18(8-2)23(29)26-20-14-12-19(13-15-20)22-21(24(30)31-16(4)5)17(6)28(9-3)25(32)27-22/h12-16,18,22H,7-11H2,1-6H3,(H,26,29)(H,27,32)