5,6-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)-7-phenethyl-pyrrolo[2,3-d]pyrimidin-4-amine

Systemtic Name: 5,6-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)-7-phenethyl-pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: 5,6-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)-7-phenethyl-pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: 5,6-dimethyl-N-[2-(4-morpholin-4-iumyl)ethyl]-7-phenethyl-4-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: 5,6-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)-7-phenethylpyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: (5,6-dimethyl-7-phenethyl-pyrrolo[2,3-d]pyrimidin-4-yl)-(2-morpholin-4-ium-4-ylethyl)amine Formula: C22H30N5O+ MolecularWeight: 380.5065

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=NC=N2)NCC[NH+]3CCOCC3)CCC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(N(C2=C1C(=NC=N2)NCC[NH+]3CCOCC3)CCC4=CC=CC=C4)C

InChI

InChI=1S/C22H29N5O/c1-17-18(2)27(10-8-19-6-4-3-5-7-19)22-20(17)21(24-16-25-22)23-9-11-26-12-14-28-15-13-26/h3-7,16H,8-15H2,1-2H3,(H,23,24,25)/p+1