2-azanyl-9-[2-[(E)-butan-2-ylideneamino]oxyethoxymethyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[2-[(E)-butan-2-ylideneamino]oxyethoxymethyl]-3H-purin-6-one Openeye Name: 2-amino-9-[2-[(E)-1-methylpropylideneamino]oxyethoxymethyl]-3H-purin-6-one CAS Name: 2-amino-9-[2-[(E)-butan-2-ylideneamino]oxyethoxymethyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[2-[(E)-butan-2-ylideneamino]oxyethoxymethyl]-3H-purin-6-one Traditional Name: 2-amino-9-[2-[(E)-1-methylpropylideneamino]oxyethoxymethyl]-3H-purin-6-one Formula: C12H18N6O3 MolecularWeight: 294.30972

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NOCCOCN1C=NC2=C1NC(=NC2=O)N)C

Isomeric SMILES

CC/C(=N/OCCOCN1C=NC2=C1NC(=NC2=O)N)/C

InChI

InChI=1S/C12H18N6O3/c1-3-8(2)17-21-5-4-20-7-18-6-14-9-10(18)15-12(13)16-11(9)19/h6H,3-5,7H2,1-2H3,(H3,13,15,16,19)/b17-8+