8-(2-dimethylaminoethylamino)-7-[(2S)-3-(3,4-dimethylphenoxy)-2-oxidanyl-propyl]-3-methyl-purine-2,6-dione

Systemtic Name: 8-(2-dimethylaminoethylamino)-7-[(2S)-3-(3,4-dimethylphenoxy)-2-oxidanyl-propyl]-3-methyl-purine-2,6-dione Openeye Name: 8-(2-dimethylaminoethylamino)-7-[(2S)-3-(3,4-dimethylphenoxy)-2-hydroxy-propyl]-3-methyl-purine-2,6-dione CAS Name: 8-(2-dimethylaminoethylamino)-7-[(2S)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(2-dimethylaminoethylamino)-7-[(2S)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]-3-methylpurine-2,6-dione Traditional Name: 8-(2-dimethylaminoethylamino)-7-[(2S)-3-(3,4-dimethylphenoxy)-2-hydroxy-propyl]-3-methyl-xanthine Formula: C21H30N6O4 MolecularWeight: 430.5007

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCC(CN2C3=C(N=C2NCCN(C)C)N(C(=O)NC3=O)C)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC[C@H](CN2C3=C(N=C2NCCN(C)C)N(C(=O)NC3=O)C)O)C

InChI

InChI=1S/C21H30N6O4/c1-13-6-7-16(10-14(13)2)31-12-15(28)11-27-17-18(26(5)21(30)24-19(17)29)23-20(27)22-8-9-25(3)4/h6-7,10,15,28H,8-9,11-12H2,1-5H3,(H,22,23)(H,24,29,30)/t15-/m0/s1