[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]methyl-[(1R)-1-phenylethyl]azanium

Systemtic Name: [1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]methyl-[(1R)-1-phenylethyl]azanium Openeye Name: (1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl-[(1R)-1-phenylethyl]ammonium CAS Name: (1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl-[(1R)-1-phenylethyl]ammonium IUPAC Name: (1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl-[(1R)-1-phenylethyl]azanium Traditional Name: (2,6-diketo-1,3-dimethyl-7H-purin-8-yl)methyl-[(1R)-1-phenylethyl]ammonium Formula: C16H20N5O2+ MolecularWeight: 314.3623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)[NH2+]CC2=NC3=C(N2)C(=O)N(C(=O)N3C)C

Isomeric SMILES

C[C@H](C1=CC=CC=C1)[NH2+]CC2=NC3=C(N2)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C16H19N5O2/c1-10(11-7-5-4-6-8-11)17-9-12-18-13-14(19-12)20(2)16(23)21(3)15(13)22/h4-8,10,17H,9H2,1-3H3,(H,18,19)/p+1/t10-/m1/s1