5,6-dimethyl-3-(3-morpholin-4-ium-4-ylpropyl)-7-(phenylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine

Systemtic Name: 5,6-dimethyl-3-(3-morpholin-4-ium-4-ylpropyl)-7-(phenylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Openeye Name: 7-benzyl-5,6-dimethyl-3-(3-morpholin-4-ium-4-ylpropyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine CAS Name: 5,6-dimethyl-3-[3-(4-morpholin-4-iumyl)propyl]-7-(phenylmethyl)-4-pyrrolo[2,3-d]pyrimidin-3-iumamine IUPAC Name: 7-benzyl-5,6-dimethyl-3-(3-morpholin-4-ium-4-ylpropyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Traditional Name: [7-benzyl-5,6-dimethyl-3-(3-morpholin-4-ium-4-ylpropyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-yl]amine Formula: C22H31N5O+2 MolecularWeight: 381.51444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=[N+](C=N2)CCC[NH+]3CCOCC3)N)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(N(C2=C1C(=[N+](C=N2)CCC[NH+]3CCOCC3)N)CC4=CC=CC=C4)C

InChI

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