3-methyl-8-(3-methylbutylamino)-7-[(2R)-2-oxidanyl-3-prop-2-enoxy-propyl]purine-2,6-dione

Systemtic Name: 3-methyl-8-(3-methylbutylamino)-7-[(2R)-2-oxidanyl-3-prop-2-enoxy-propyl]purine-2,6-dione Openeye Name: 7-[(2R)-3-allyloxy-2-hydroxy-propyl]-8-(isopentylamino)-3-methyl-purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxy-3-prop-2-enoxypropyl]-3-methyl-8-(3-methylbutylamino)purine-2,6-dione IUPAC Name: 7-[(2R)-2-hydroxy-3-prop-2-enoxypropyl]-3-methyl-8-(3-methylbutylamino)purine-2,6-dione Traditional Name: 7-[(2R)-3-allyloxy-2-hydroxy-propyl]-8-(isoamylamino)-3-methyl-xanthine Formula: C17H27N5O4 MolecularWeight: 365.42738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC2=C(N1CC(COCC=C)O)C(=O)NC(=O)N2C

Isomeric SMILES

CC(C)CCNC1=NC2=C(N1C[C@H](COCC=C)O)C(=O)NC(=O)N2C

InChI

InChI=1S/C17H27N5O4/c1-5-8-26-10-12(23)9-22-13-14(21(4)17(25)20-15(13)24)19-16(22)18-7-6-11(2)3/h5,11-12,23H,1,6-10H2,2-4H3,(H,18,19)(H,20,24,25)/t12-/m1/s1