7-(3-chloranyl-4-methyl-phenyl)-N-(2-morpholin-4-ium-4-ylethyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-amine

Systemtic Name: 7-(3-chloranyl-4-methyl-phenyl)-N-(2-morpholin-4-ium-4-ylethyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: 7-(3-chloro-4-methyl-phenyl)-N-(2-morpholin-4-ium-4-ylethyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: 7-(3-chloro-4-methylphenyl)-N-[2-(4-morpholin-4-iumyl)ethyl]-5-phenyl-4-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: 7-(3-chloro-4-methylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: [7-(3-chloro-4-methyl-phenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]-(2-morpholin-4-ium-4-ylethyl)amine Formula: C25H27ClN5O+ MolecularWeight: 448.96778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=C(C3=C2N=CN=C3NCC[NH+]4CCOCC4)C5=CC=CC=C5)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=C(C3=C2N=CN=C3NCC[NH+]4CCOCC4)C5=CC=CC=C5)Cl

InChI

InChI=1S/C25H26ClN5O/c1-18-7-8-20(15-22(18)26)31-16-21(19-5-3-2-4-6-19)23-24(28-17-29-25(23)31)27-9-10-30-11-13-32-14-12-30/h2-8,15-17H,9-14H2,1H3,(H,27,28,29)/p+1