8-(3-azanylpropylamino)-3-methyl-7-[(2R)-3-(4-methylphenoxy)-2-oxidanyl-propyl]purine-2,6-dione

Systemtic Name: 8-(3-azanylpropylamino)-3-methyl-7-[(2R)-3-(4-methylphenoxy)-2-oxidanyl-propyl]purine-2,6-dione Openeye Name: 8-(3-aminopropylamino)-7-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]-3-methyl-purine-2,6-dione CAS Name: 8-(3-aminopropylamino)-7-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(3-aminopropylamino)-7-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]-3-methylpurine-2,6-dione Traditional Name: 8-(3-aminopropylamino)-7-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]-3-methyl-xanthine Formula: C19H26N6O4 MolecularWeight: 402.44754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(CN2C3=C(N=C2NCCCN)N(C(=O)NC3=O)C)O

Isomeric SMILES

CC1=CC=C(C=C1)OC[C@@H](CN2C3=C(N=C2NCCCN)N(C(=O)NC3=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