2-[4-azanyl-5,6-dimethyl-7-(phenylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]ethyl-diethyl-azanium

Systemtic Name: 2-[4-azanyl-5,6-dimethyl-7-(phenylmethyl)pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]ethyl-diethyl-azanium Openeye Name: 2-(4-amino-7-benzyl-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-3-ium-3-yl)ethyl-diethyl-ammonium CAS Name: 2-[4-amino-5,6-dimethyl-7-(phenylmethyl)-3-pyrrolo[2,3-d]pyrimidin-3-iumyl]ethyl-diethylammonium IUPAC Name: 2-(4-amino-7-benzyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-3-ium-3-yl)ethyl-diethylazanium Traditional Name: 2-(4-amino-7-benzyl-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-3-ium-3-yl)ethyl-diethyl-ammonium Formula: C21H31N5+2 MolecularWeight: 353.50434

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC[N+]1=C(C2=C(N=C1)N(C(=C2C)C)CC3=CC=CC=C3)N

Isomeric SMILES

CC[NH+](CC)CC[N+]1=C(C2=C(N=C1)N(C(=C2C)C)CC3=CC=CC=C3)N

InChI

InChI=1S/C21H29N5/c1-5-24(6-2)12-13-25-15-23-21-19(20(25)22)16(3)17(4)26(21)14-18-10-8-7-9-11-18/h7-11,15,22H,5-6,12-14H2,1-4H3/p+2