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

Systemtic Name: 5,6-dimethyl-3-(2-morpholin-4-ium-4-ylethyl)-7-(phenylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Openeye Name: 7-benzyl-5,6-dimethyl-3-(2-morpholin-4-ium-4-ylethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine CAS Name: 5,6-dimethyl-3-[2-(4-morpholin-4-iumyl)ethyl]-7-(phenylmethyl)-4-pyrrolo[2,3-d]pyrimidin-3-iumamine IUPAC Name: 7-benzyl-5,6-dimethyl-3-(2-morpholin-4-ium-4-ylethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Traditional Name: [7-benzyl-5,6-dimethyl-3-(2-morpholin-4-ium-4-ylethyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-yl]amine Formula: C21H29N5O+2 MolecularWeight: 367.48786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O/c1-16-17(2)26(14-18-6-4-3-5-7-18)21-19(16)20(22)25(15-23-21)9-8-24-10-12-27-13-11-24/h3-7,15,22H,8-14H2,1-2H3/p+2