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

Systemtic Name: propan-2-yl 4-[4-[(4-cyanophenyl)carbamoyl]-3-methyl-piperazin-1-yl]carbonyl-6-methyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: isopropyl 4-[4-[(4-cyanophenyl)carbamoyl]-3-methyl-piperazine-1-carbonyl]-6-methyl-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-[(4-cyanoanilino)-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-cyanophenyl)carbamoyl]-3-methylpiperazine-1-carbonyl]-6-methyl-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-[4-[(4-cyanophenyl)carbamoyl]-3-methyl-piperazine-1-carbonyl]-6-methyl-2-phenyl-pyrimidine-5-carboxylic acid isopropyl ester Formula: C29H30N6O4 MolecularWeight: 526.5863

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)NC2=CC=C(C=C2)C#N)C(=O)C3=C(C(=NC(=N3)C4=CC=CC=C4)C)C(=O)OC(C)C

Isomeric SMILES

CC1CN(CCN1C(=O)NC2=CC=C(C=C2)C#N)C(=O)C3=C(C(=NC(=N3)C4=CC=CC=C4)C)C(=O)OC(C)C

InChI

InChI=1S/C29H30N6O4/c1-18(2)39-28(37)24-20(4)31-26(22-8-6-5-7-9-22)33-25(24)27(36)34-14-15-35(19(3)17-34)29(38)32-23-12-10-21(16-30)11-13-23/h5-13,18-19H,14-15,17H2,1-4H3,(H,32,38)