3-[3-methyl-2,6-bis(oxidanylidene)purin-7-yl]-N'-oxidanyl-propanimidamide

Systemtic Name: 3-[3-methyl-2,6-bis(oxidanylidene)purin-7-yl]-N'-oxidanyl-propanimidamide Openeye Name: N'-hydroxy-3-(3-methyl-2,6-dioxo-purin-7-yl)propanamidine CAS Name: N'-hydroxy-3-(3-methyl-2,6-dioxo-7-purinyl)propanimidamide IUPAC Name: N'-hydroxy-3-(3-methyl-2,6-dioxopurin-7-yl)propanimidamide Traditional Name: 3-(2,6-diketo-3-methyl-purin-7-yl)-N'-hydroxy-propionamidine Formula: C9H12N6O3 MolecularWeight: 252.22998

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C=N2)CCC(=NO)N

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C=N2)CC/C(=N/O)/N

InChI

InChI=1S/C9H12N6O3/c1-14-7-6(8(16)12-9(14)17)15(4-11-7)3-2-5(10)13-18/h4,18H,2-3H2,1H3,(H2,10,13)(H,12,16,17)