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

Systemtic Name: 8-(3-azaniumylpropylamino)-3-methyl-7-[(2R)-3-(4-methylphenoxy)-2-oxidanyl-propyl]-6-oxidanylidene-purin-2-olate Openeye Name: 8-(3-azaniumylpropylamino)-7-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]-3-methyl-6-oxo-purin-2-olate CAS Name: 8-(3-ammoniopropylamino)-7-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]-3-methyl-6-oxo-2-purinolate IUPAC Name: 8-(3-azaniumylpropylamino)-7-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]-3-methyl-6-oxopurin-2-olate Traditional Name: 8-(3-ammoniopropylamino)-7-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]-6-keto-3-methyl-purin-2-olate Formula: C19H26N6O4 MolecularWeight: 402.44754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(CN2C3=C(N=C2NCCC[NH3+])N(C(=NC3=O)[O-])C)O

Isomeric SMILES

CC1=CC=C(C=C1)OC[C@@H](CN2C3=C(N=C2NCCC[NH3+])N(C(=NC3=O)[O-])C)O

InChI

InChI=1S/C19H26N6O4/c1-12-4-6-14(7-5-12)29-11-13(26)10-25-15-16(22-18(25)21-9-3-8-20)24(2)19(28)23-17(15)27/h4-7,13,26H,3,8-11,20H2,1-2H3,(H,21,22)(H,23,27,28)/t13-/m1/s1