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

Systemtic Name: 3-methyl-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]-3-methyl-8-[2-(2-oxoindol-3-yl)hydrazino]purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxy-3-prop-2-enoxypropyl]-3-methyl-8-[(2-oxo-3-indolyl)hydrazo]purine-2,6-dione IUPAC Name: 7-[(2R)-2-hydroxy-3-prop-2-enoxypropyl]-3-methyl-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]-3-methyl-xanthine Formula: C20H21N7O5 MolecularWeight: 439.42464

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NNC3=C4C=CC=CC4=NC3=O)CC(COCC=C)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NNC3=C4C=CC=CC4=NC3=O)C[C@H](COCC=C)O

InChI

InChI=1S/C20H21N7O5/c1-3-8-32-10-11(28)9-27-15-16(26(2)20(31)23-18(15)30)22-19(27)25-24-14-12-6-4-5-7-13(12)21-17(14)29/h3-7,11,28H,1,8-10H2,2H3,(H,22,25)(H,21,24,29)(H,23,30,31)/t11-/m1/s1