ethyl 2-methyl-4-(3-methyl-4-quinolin-8-ylsulfonyl-piperazin-1-yl)carbonyl-6-phenyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-methyl-4-(3-methyl-4-quinolin-8-ylsulfonyl-piperazin-1-yl)carbonyl-6-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 2-methyl-4-[3-methyl-4-(8-quinolylsulfonyl)piperazine-1-carbonyl]-6-phenyl-pyrimidine-5-carboxylate CAS Name: 2-methyl-4-[[3-methyl-4-(8-quinolinylsulfonyl)-1-piperazinyl]-oxomethyl]-6-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-4-(3-methyl-4-quinolin-8-ylsulfonylpiperazine-1-carbonyl)-6-phenylpyrimidine-5-carboxylate Traditional Name: 2-methyl-4-[3-methyl-4-(8-quinolylsulfonyl)piperazine-1-carbonyl]-6-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C29H29N5O5S MolecularWeight: 559.63606

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1C(=O)N2CCN(C(C2)C)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)C)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1C(=O)N2CCN(C(C2)C)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)C)C5=CC=CC=C5

InChI

InChI=1S/C29H29N5O5S/c1-4-39-29(36)24-26(22-10-6-5-7-11-22)31-20(3)32-27(24)28(35)33-16-17-34(19(2)18-33)40(37,38)23-14-8-12-21-13-9-15-30-25(21)23/h5-15,19H,4,16-18H2,1-3H3