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

Systemtic Name: 5,6-dimethyl-7-(3-morpholin-4-ylpropyl)-3-(phenylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Openeye Name: 3-benzyl-5,6-dimethyl-7-(3-morpholinopropyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine CAS Name: 5,6-dimethyl-7-[3-(4-morpholinyl)propyl]-3-(phenylmethyl)-4-pyrrolo[2,3-d]pyrimidin-3-iumamine IUPAC Name: 3-benzyl-5,6-dimethyl-7-(3-morpholin-4-ylpropyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Traditional Name: [3-benzyl-5,6-dimethyl-7-(3-morpholinopropyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-yl]amine Formula: C22H30N5O+ MolecularWeight: 380.5065

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=[N+](C=N2)CC3=CC=CC=C3)N)CCCN4CCOCC4)C

Isomeric SMILES

CC1=C(N(C2=C1C(=[N+](C=N2)CC3=CC=CC=C3)N)CCCN4CCOCC4)C

InChI

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