8-diazanyl-7-[(2S)-3-(3,4-dimethylphenoxy)-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-diazanyl-7-[(2S)-3-(3,4-dimethylphenoxy)-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(2S)-3-(3,4-dimethylphenoxy)-2-hydroxy-propyl]-8-hydrazino-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2S)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]-8-hydrazinyl-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2S)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]-8-hydrazinyl-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(2S)-3-(3,4-dimethylphenoxy)-2-hydroxy-propyl]-8-hydrazino-1,3-dimethyl-xanthine Formula: C18H24N6O4 MolecularWeight: 388.42096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCC(CN2C3=C(N=C2NN)N(C(=O)N(C3=O)C)C)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC[C@H](CN2C3=C(N=C2NN)N(C(=O)N(C3=O)C)C)O)C

InChI

InChI=1S/C18H24N6O4/c1-10-5-6-13(7-11(10)2)28-9-12(25)8-24-14-15(20-17(24)21-19)22(3)18(27)23(4)16(14)26/h5-7,12,25H,8-9,19H2,1-4H3,(H,20,21)/t12-/m0/s1