2-(4-chloranyl-6-methoxy-9H-pyrimido[4,5-b]indol-2-yl)-N,N-diethyl-ethanamine

Systemtic Name: 2-(4-chloranyl-6-methoxy-9H-pyrimido[4,5-b]indol-2-yl)-N,N-diethyl-ethanamine Openeye Name: 2-(4-chloro-6-methoxy-9H-pyrimido[4,5-b]indol-2-yl)-N,N-diethyl-ethanamine CAS Name: 2-(4-chloro-6-methoxy-9H-pyrimido[4,5-b]indol-2-yl)-N,N-diethylethanamine IUPAC Name: 2-(4-chloro-6-methoxy-9H-pyrimido[4,5-b]indol-2-yl)-N,N-diethylethanamine Traditional Name: 2-(4-chloro-6-methoxy-9H-pyrimid[4,5-b]indol-2-yl)ethyl-diethyl-amine Formula: C17H21ClN4O MolecularWeight: 332.82784

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC1=NC2=C(C3=C(N2)C=CC(=C3)OC)C(=N1)Cl

Isomeric SMILES

CCN(CC)CCC1=NC2=C(C3=C(N2)C=CC(=C3)OC)C(=N1)Cl

InChI

InChI=1S/C17H21ClN4O/c1-4-22(5-2)9-8-14-20-16(18)15-12-10-11(23-3)6-7-13(12)19-17(15)21-14/h6-7,10H,4-5,8-9H2,1-3H3,(H,19,20,21)