propan-2-yl 4-[4-[(4-ethoxycarbonylphenyl)carbamoyl]-3-methyl-piperazin-1-yl]carbonyl-6-methyl-2-phenyl-pyrimidine-5-carboxylate

Systemtic Name: propan-2-yl 4-[4-[(4-ethoxycarbonylphenyl)carbamoyl]-3-methyl-piperazin-1-yl]carbonyl-6-methyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: isopropyl 4-[4-[(4-ethoxycarbonylphenyl)carbamoyl]-3-methyl-piperazine-1-carbonyl]-6-methyl-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-[(4-ethoxycarbonylanilino)-oxomethyl]-3-methyl-1-piperazinyl]-oxomethyl]-6-methyl-2-phenyl-5-pyrimidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[4-[(4-ethoxycarbonylphenyl)carbamoyl]-3-methylpiperazine-1-carbonyl]-6-methyl-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-[4-[(4-carbethoxyphenyl)carbamoyl]-3-methyl-piperazine-1-carbonyl]-6-methyl-2-phenyl-pyrimidine-5-carboxylic acid isopropyl ester Formula: C31H35N5O6 MolecularWeight: 573.6395

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCN(CC2C)C(=O)C3=C(C(=NC(=N3)C4=CC=CC=C4)C)C(=O)OC(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCN(CC2C)C(=O)C3=C(C(=NC(=N3)C4=CC=CC=C4)C)C(=O)OC(C)C

InChI

InChI=1S/C31H35N5O6/c1-6-41-29(38)23-12-14-24(15-13-23)33-31(40)36-17-16-35(18-20(36)4)28(37)26-25(30(39)42-19(2)3)21(5)32-27(34-26)22-10-8-7-9-11-22/h7-15,19-20H,6,16-18H2,1-5H3,(H,33,40)