5,6-dimethyl-2-(1-oxidanidylpyridin-1-ium-4-yl)-7-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine

Systemtic Name: 5,6-dimethyl-2-(1-oxidanidylpyridin-1-ium-4-yl)-7-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: 5,6-dimethyl-2-(1-oxidopyridin-1-ium-4-yl)-7-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: 5,6-dimethyl-2-(1-oxido-4-pyridin-1-iumyl)-7-[(1R)-1-phenylethyl]-4-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: 5,6-dimethyl-2-(1-oxidopyridin-1-ium-4-yl)-7-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: [5,6-dimethyl-2-(1-oxidopyridin-1-ium-4-yl)-7-[(1R)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-yl]amine Formula: C21H21N5O MolecularWeight: 359.42434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=NC(=N2)C3=CC=[N+](C=C3)[O-])N)C(C)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(N(C2=C1C(=NC(=N2)C3=CC=[N+](C=C3)[O-])N)[C@H](C)C4=CC=CC=C4)C

InChI

InChI=1S/C21H21N5O/c1-13-14(2)26(15(3)16-7-5-4-6-8-16)21-18(13)19(22)23-20(24-21)17-9-11-25(27)12-10-17/h4-12,15H,1-3H3,(H2,22,23,24)/t15-/m1/s1