ethyl 4-[[5-chloranyl-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidine-1-carboxylate; methanoic acid

Systemtic Name: ethyl 4-[[5-chloranyl-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidine-1-carboxylate; methanoic acid Openeye Name: ethyl 4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidine-1-carboxylate; formic acid CAS Name: 4-[[5-chloro-4-(1H-indol-3-yl)-2-pyrimidinyl]amino]-1-piperidinecarboxylic acid ethyl ester; formic acid IUPAC Name: ethyl 4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidine-1-carboxylate; formic acid Traditional Name: 4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidine-1-carboxylic acid ethyl ester; formic acid Formula: C21H24ClN5O4 MolecularWeight: 445.89936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC2=NC=C(C(=N2)C3=CNC4=CC=CC=C43)Cl.C(=O)O

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC2=NC=C(C(=N2)C3=CNC4=CC=CC=C43)Cl.C(=O)O

InChI

InChI=1S/C20H22ClN5O2.CH2O2/c1-2-28-20(27)26-9-7-13(8-10-26)24-19-23-12-16(21)18(25-19)15-11-22-17-6-4-3-5-14(15)17;2-1-3/h3-6,11-13,22H,2,7-10H2,1H3,(H,23,24,25);1H,(H,2,3)