methyl 5-[4-[(4-piperazin-1-ylpyridin-3-yl)carbamoyl]pyrimidin-2-yl]pyridine-2-carboxylate

Systemtic Name: methyl 5-[4-[(4-piperazin-1-ylpyridin-3-yl)carbamoyl]pyrimidin-2-yl]pyridine-2-carboxylate Openeye Name: methyl 5-[4-[(4-piperazin-1-yl-3-pyridyl)carbamoyl]pyrimidin-2-yl]pyridine-2-carboxylate CAS Name: 5-[4-[oxo-[[4-(1-piperazinyl)-3-pyridinyl]amino]methyl]-2-pyrimidinyl]-2-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-[4-[(4-piperazin-1-ylpyridin-3-yl)carbamoyl]pyrimidin-2-yl]pyridine-2-carboxylate Traditional Name: 5-[4-[(4-piperazino-3-pyridyl)carbamoyl]pyrimidin-2-yl]picolinic acid methyl ester Formula: C21H21N7O3 MolecularWeight: 419.43654

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC=C(C=C1)C2=NC=CC(=N2)C(=O)NC3=C(C=CN=C3)N4CCNCC4

Isomeric SMILES

COC(=O)C1=NC=C(C=C1)C2=NC=CC(=N2)C(=O)NC3=C(C=CN=C3)N4CCNCC4

InChI

InChI=1S/C21H21N7O3/c1-31-21(30)16-3-2-14(12-25-16)19-24-7-4-15(26-19)20(29)27-17-13-23-6-5-18(17)28-10-8-22-9-11-28/h2-7,12-13,22H,8-11H2,1H3,(H,27,29)