2-azanyl-9-[(Z)-4-oxidanylbut-2-enyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[(Z)-4-oxidanylbut-2-enyl]-3H-purin-6-one Openeye Name: 2-amino-9-[(Z)-4-hydroxybut-2-enyl]-3H-purin-6-one CAS Name: 2-amino-9-[(Z)-4-hydroxybut-2-enyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(Z)-4-hydroxybut-2-enyl]-3H-purin-6-one Traditional Name: 2-amino-9-[(Z)-4-hydroxybut-2-enyl]-3H-purin-6-one Formula: C9H11N5O2 MolecularWeight: 221.21594

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CC=CCO)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1C/C=C\CO)NC(=NC2=O)N

InChI

InChI=1S/C9H11N5O2/c10-9-12-7-6(8(16)13-9)11-5-14(7)3-1-2-4-15/h1-2,5,15H,3-4H2,(H3,10,12,13,16)/b2-1-