ethyl 4-[[5-cyano-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[5-cyano-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[5-cyano-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidine-1-carboxylate CAS Name: 4-[[5-cyano-4-(1H-indol-3-yl)-2-pyrimidinyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[5-cyano-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[[5-cyano-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C21H22N6O2 MolecularWeight: 390.43838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC2=NC=C(C(=N2)C3=CNC4=CC=CC=C43)C#N

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC2=NC=C(C(=N2)C3=CNC4=CC=CC=C43)C#N

InChI

InChI=1S/C21H22N6O2/c1-2-29-21(28)27-9-7-15(8-10-27)25-20-24-12-14(11-22)19(26-20)17-13-23-18-6-4-3-5-16(17)18/h3-6,12-13,15,23H,2,7-10H2,1H3,(H,24,25,26)