1,3-dimethyl-8-[2-(2-oxidanylideneindol-3-yl)hydrazinyl]-7-[(2R)-2-oxidanyl-3-prop-2-enoxy-propyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[2-(2-oxidanylideneindol-3-yl)hydrazinyl]-7-[(2R)-2-oxidanyl-3-prop-2-enoxy-propyl]purine-2,6-dione Openeye Name: 7-[(2R)-3-allyloxy-2-hydroxy-propyl]-1,3-dimethyl-8-[2-(2-oxoindol-3-yl)hydrazino]purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxy-3-prop-2-enoxypropyl]-1,3-dimethyl-8-[(2-oxo-3-indolyl)hydrazo]purine-2,6-dione IUPAC Name: 7-[(2R)-2-hydroxy-3-prop-2-enoxypropyl]-1,3-dimethyl-8-[2-(2-oxoindol-3-yl)hydrazinyl]purine-2,6-dione Traditional Name: 7-[(2R)-3-allyloxy-2-hydroxy-propyl]-8-[N'-(2-ketoindol-3-yl)hydrazino]-1,3-dimethyl-xanthine Formula: C21H23N7O5 MolecularWeight: 453.45122

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NNC3=C4C=CC=CC4=NC3=O)CC(COCC=C)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NNC3=C4C=CC=CC4=NC3=O)C[C@H](COCC=C)O

InChI

InChI=1S/C21H23N7O5/c1-4-9-33-11-12(29)10-28-16-17(26(2)21(32)27(3)19(16)31)23-20(28)25-24-15-13-7-5-6-8-14(13)22-18(15)30/h4-8,12,29H,1,9-11H2,2-3H3,(H,23,25)(H,22,24,30)/t12-/m1/s1