3-methyl-7-[(2R)-2-oxidanyl-3-propan-2-yloxy-propyl]-8-(pentylamino)purine-2,6-dione

Systemtic Name: 3-methyl-7-[(2R)-2-oxidanyl-3-propan-2-yloxy-propyl]-8-(pentylamino)purine-2,6-dione Openeye Name: 7-[(2R)-2-hydroxy-3-isopropoxy-propyl]-3-methyl-8-(pentylamino)purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]-3-methyl-8-(pentylamino)purine-2,6-dione IUPAC Name: 7-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]-3-methyl-8-(pentylamino)purine-2,6-dione Traditional Name: 8-(amylamino)-7-[(2R)-2-hydroxy-3-isopropoxy-propyl]-3-methyl-xanthine Formula: C17H29N5O4 MolecularWeight: 367.44326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=NC2=C(N1CC(COC(C)C)O)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCNC1=NC2=C(N1C[C@H](COC(C)C)O)C(=O)NC(=O)N2C

InChI

InChI=1S/C17H29N5O4/c1-5-6-7-8-18-16-19-14-13(15(24)20-17(25)21(14)4)22(16)9-12(23)10-26-11(2)3/h11-12,23H,5-10H2,1-4H3,(H,18,19)(H,20,24,25)/t12-/m1/s1