7-chloranyl-2-(5-ethylpyridin-3-yl)-N,N,9-trimethyl-pyrimido[4,5-b]indole-4-carboxamide

Systemtic Name: 7-chloranyl-2-(5-ethylpyridin-3-yl)-N,N,9-trimethyl-pyrimido[4,5-b]indole-4-carboxamide Openeye Name: 7-chloro-2-(5-ethyl-3-pyridyl)-N,N,9-trimethyl-pyrimido[4,5-b]indole-4-carboxamide CAS Name: 7-chloro-2-(5-ethyl-3-pyridinyl)-N,N,9-trimethyl-4-pyrimido[4,5-b]indolecarboxamide IUPAC Name: 7-chloro-2-(5-ethylpyridin-3-yl)-N,N,9-trimethylpyrimido[4,5-b]indole-4-carboxamide Traditional Name: 7-chloro-2-(5-ethyl-3-pyridyl)-N,N,9-trimethyl-pyrimid[4,5-b]indole-4-carboxamide Formula: C21H20ClN5O MolecularWeight: 393.8694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=CC(=C1)C2=NC(=C3C4=C(C=C(C=C4)Cl)N(C3=N2)C)C(=O)N(C)C

Isomeric SMILES

CCC1=CN=CC(=C1)C2=NC(=C3C4=C(C=C(C=C4)Cl)N(C3=N2)C)C(=O)N(C)C

InChI

InChI=1S/C21H20ClN5O/c1-5-12-8-13(11-23-10-12)19-24-18(21(28)26(2)3)17-15-7-6-14(22)9-16(15)27(4)20(17)25-19/h6-11H,5H2,1-4H3