7-(2-oxidanylidenepropyl)-2-phenylazanyl-3H-purin-6-one

Systemtic Name: 7-(2-oxidanylidenepropyl)-2-phenylazanyl-3H-purin-6-one Openeye Name: 7-acetonyl-2-anilino-3H-purin-6-one CAS Name: 2-anilino-7-(2-oxopropyl)-3H-purin-6-one IUPAC Name: 2-anilino-7-(2-oxopropyl)-3H-purin-6-one Traditional Name: 7-acetonyl-2-anilino-3H-purin-6-one Formula: C14H13N5O2 MolecularWeight: 283.28532

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C=NC2=C1C(=O)N=C(N2)NC3=CC=CC=C3

Isomeric SMILES

CC(=O)CN1C=NC2=C1C(=O)N=C(N2)NC3=CC=CC=C3

InChI

InChI=1S/C14H13N5O2/c1-9(20)7-19-8-15-12-11(19)13(21)18-14(17-12)16-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H2,16,17,18,21)