methyl 4-(3-methylpiperazin-1-yl)carbonyl-2-phenyl-6-propan-2-yl-pyrimidine-5-carboxylate

Systemtic Name: methyl 4-(3-methylpiperazin-1-yl)carbonyl-2-phenyl-6-propan-2-yl-pyrimidine-5-carboxylate Openeye Name: methyl 4-isopropyl-6-(3-methylpiperazine-1-carbonyl)-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[(3-methyl-1-piperazinyl)-oxomethyl]-2-phenyl-6-propan-2-yl-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 4-(3-methylpiperazine-1-carbonyl)-2-phenyl-6-propan-2-ylpyrimidine-5-carboxylate Traditional Name: 4-isopropyl-6-(3-methylpiperazine-1-carbonyl)-2-phenyl-pyrimidine-5-carboxylic acid methyl ester Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C(=O)C2=C(C(=NC(=N2)C3=CC=CC=C3)C(C)C)C(=O)OC

Isomeric SMILES

CC1CN(CCN1)C(=O)C2=C(C(=NC(=N2)C3=CC=CC=C3)C(C)C)C(=O)OC

InChI

InChI=1S/C21H26N4O3/c1-13(2)17-16(21(27)28-4)18(20(26)25-11-10-22-14(3)12-25)24-19(23-17)15-8-6-5-7-9-15/h5-9,13-14,22H,10-12H2,1-4H3