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

Systemtic Name: N-(3-methoxyphenyl)-5,6-dimethyl-7-(2-morpholin-4-ium-4-ylethyl)pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: N-(3-methoxyphenyl)-5,6-dimethyl-7-(2-morpholin-4-ium-4-ylethyl)pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: N-(3-methoxyphenyl)-5,6-dimethyl-7-[2-(4-morpholin-4-iumyl)ethyl]-4-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: N-(3-methoxyphenyl)-5,6-dimethyl-7-(2-morpholin-4-ium-4-ylethyl)pyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: [5,6-dimethyl-7-(2-morpholin-4-ium-4-ylethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-(3-methoxyphenyl)amine Formula: C21H28N5O2+ MolecularWeight: 382.47932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=NC=N2)NC3=CC(=CC=C3)OC)CC[NH+]4CCOCC4)C

Isomeric SMILES

CC1=C(N(C2=C1C(=NC=N2)NC3=CC(=CC=C3)OC)CC[NH+]4CCOCC4)C

InChI

InChI=1S/C21H27N5O2/c1-15-16(2)26(8-7-25-9-11-28-12-10-25)21-19(15)20(22-14-23-21)24-17-5-4-6-18(13-17)27-3/h4-6,13-14H,7-12H2,1-3H3,(H,22,23,24)/p+1