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

Systemtic Name: 7-[(2R)-2,3-bis(oxidanyl)propyl]-3-methyl-8-(prop-2-enylamino)purine-2,6-dione Openeye Name: 8-(allylamino)-7-[(2R)-2,3-dihydroxypropyl]-3-methyl-purine-2,6-dione CAS Name: 7-[(2R)-2,3-dihydroxypropyl]-3-methyl-8-(prop-2-enylamino)purine-2,6-dione IUPAC Name: 7-[(2R)-2,3-dihydroxypropyl]-3-methyl-8-(prop-2-enylamino)purine-2,6-dione Traditional Name: 8-(allylamino)-7-[(2R)-2,3-dihydroxypropyl]-3-methyl-xanthine Formula: C12H17N5O4 MolecularWeight: 295.29448

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC=C)CC(CO)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC=C)C[C@H](CO)O

InChI

InChI=1S/C12H17N5O4/c1-3-4-13-11-14-9-8(17(11)5-7(19)6-18)10(20)15-12(21)16(9)2/h3,7,18-19H,1,4-6H2,2H3,(H,13,14)(H,15,20,21)/t7-/m1/s1