7-(2-hydroxyethyl)-3-methyl-8-[(2E)-2-[(4-propoxyphenyl)methylidene]hydrazinyl]purine-2,6-dione

Systemtic Name: 7-(2-hydroxyethyl)-3-methyl-8-[(2E)-2-[(4-propoxyphenyl)methylidene]hydrazinyl]purine-2,6-dione Openeye Name: 7-(2-hydroxyethyl)-3-methyl-8-[(2E)-2-[(4-propoxyphenyl)methylene]hydrazino]purine-2,6-dione CAS Name: 7-(2-hydroxyethyl)-3-methyl-8-[(2E)-2-[(4-propoxyphenyl)methylidene]hydrazinyl]purine-2,6-dione IUPAC Name: 7-(2-hydroxyethyl)-3-methyl-8-[(2E)-2-[(4-propoxyphenyl)methylidene]hydrazinyl]purine-2,6-dione Traditional Name: 7-(2-hydroxyethyl)-3-methyl-8-[(N'E)-N'-(4-propoxybenzylidene)hydrazino]xanthine Formula: C18H22N6O4 MolecularWeight: 386.40508

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C=NNC2=NC3=C(N2CCO)C(=O)NC(=O)N3C

Isomeric SMILES

CCCOC1=CC=C(C=C1)/C=N/NC2=NC3=C(N2CCO)C(=O)NC(=O)N3C

InChI

InChI=1S/C18H22N6O4/c1-3-10-28-13-6-4-12(5-7-13)11-19-22-17-20-15-14(24(17)8-9-25)16(26)21-18(27)23(15)2/h4-7,11,25H,3,8-10H2,1-2H3,(H,20,22)(H,21,26,27)/b19-11+