8-(2-azaniumylethylamino)-3-methyl-7-[(2R)-3-(4-methylphenoxy)-2-oxidanyl-propyl]-6-oxidanylidene-purin-2-olate

Systemtic Name: 8-(2-azaniumylethylamino)-3-methyl-7-[(2R)-3-(4-methylphenoxy)-2-oxidanyl-propyl]-6-oxidanylidene-purin-2-olate Openeye Name: 8-(2-azaniumylethylamino)-7-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]-3-methyl-6-oxo-purin-2-olate CAS Name: 8-(2-ammonioethylamino)-7-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]-3-methyl-6-oxo-2-purinolate IUPAC Name: 8-(2-azaniumylethylamino)-7-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]-3-methyl-6-oxopurin-2-olate Traditional Name: 8-(2-ammonioethylamino)-7-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]-6-keto-3-methyl-purin-2-olate Formula: C18H24N6O4 MolecularWeight: 388.42096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(CN2C3=C(N=C2NCC[NH3+])N(C(=NC3=O)[O-])C)O

Isomeric SMILES

CC1=CC=C(C=C1)OC[C@@H](CN2C3=C(N=C2NCC[NH3+])N(C(=NC3=O)[O-])C)O

InChI

InChI=1S/C18H24N6O4/c1-11-3-5-13(6-4-11)28-10-12(25)9-24-14-15(21-17(24)20-8-7-19)23(2)18(27)22-16(14)26/h3-6,12,25H,7-10,19H2,1-2H3,(H,20,21)(H,22,26,27)/t12-/m1/s1