9-(3-methoxyphenyl)-8-oxidanylidene-2-propyl-7H-purine-6-carboxamide

Systemtic Name: 9-(3-methoxyphenyl)-8-oxidanylidene-2-propyl-7H-purine-6-carboxamide Openeye Name: 9-(3-methoxyphenyl)-8-oxo-2-propyl-7H-purine-6-carboxamide CAS Name: 9-(3-methoxyphenyl)-8-oxo-2-propyl-7H-purine-6-carboxamide IUPAC Name: 9-(3-methoxyphenyl)-8-oxo-2-propyl-7H-purine-6-carboxamide Traditional Name: 8-keto-9-(3-methoxyphenyl)-2-propyl-7H-purine-6-carboxamide Formula: C16H17N5O3 MolecularWeight: 327.33788

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C2C(=N1)N(C(=O)N2)C3=CC(=CC=C3)OC)C(=O)N

Isomeric SMILES

CCCC1=NC(=C2C(=N1)N(C(=O)N2)C3=CC(=CC=C3)OC)C(=O)N

InChI

InChI=1S/C16H17N5O3/c1-3-5-11-18-12(14(17)22)13-15(19-11)21(16(23)20-13)9-6-4-7-10(8-9)24-2/h4,6-8H,3,5H2,1-2H3,(H2,17,22)(H,20,23)