9-(1,3-benzodioxol-5-yl)-8-oxidanylidene-2-pentan-3-yl-7H-purine-6-carboxamide

Systemtic Name: 9-(1,3-benzodioxol-5-yl)-8-oxidanylidene-2-pentan-3-yl-7H-purine-6-carboxamide Openeye Name: 9-(1,3-benzodioxol-5-yl)-2-(1-ethylpropyl)-8-oxo-7H-purine-6-carboxamide CAS Name: 9-(1,3-benzodioxol-5-yl)-8-oxo-2-pentan-3-yl-7H-purine-6-carboxamide IUPAC Name: 9-(1,3-benzodioxol-5-yl)-8-oxo-2-pentan-3-yl-7H-purine-6-carboxamide Traditional Name: 9-(1,3-benzodioxol-5-yl)-2-(1-ethylpropyl)-8-keto-7H-purine-6-carboxamide Formula: C18H19N5O4 MolecularWeight: 369.37456

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=NC(=C2C(=N1)N(C(=O)N2)C3=CC4=C(C=C3)OCO4)C(=O)N

Isomeric SMILES

CCC(CC)C1=NC(=C2C(=N1)N(C(=O)N2)C3=CC4=C(C=C3)OCO4)C(=O)N

InChI

InChI=1S/C18H19N5O4/c1-3-9(4-2)16-20-13(15(19)24)14-17(22-16)23(18(25)21-14)10-5-6-11-12(7-10)27-8-26-11/h5-7,9H,3-4,8H2,1-2H3,(H2,19,24)(H,21,25)