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

Systemtic Name: 5,6-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)-7-(phenylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: 7-benzyl-5,6-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: 5,6-dimethyl-N-[2-(4-morpholin-4-iumyl)ethyl]-7-(phenylmethyl)-4-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: 7-benzyl-5,6-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)pyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: (7-benzyl-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-yl)-(2-morpholin-4-ium-4-ylethyl)amine Formula: C21H28N5O+ MolecularWeight: 366.47992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(N(C2=C1C(=NC=N2)NCC[NH+]3CCOCC3)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(23-15-24-21)22-8-9-25-10-12-27-13-11-25/h3-7,15H,8-14H2,1-2H3,(H,22,23,24)/p+1