2-azanyl-9-hepta-1,6-dien-4-yl-3H-purin-6-one

Systemtic Name: 2-azanyl-9-hepta-1,6-dien-4-yl-3H-purin-6-one Openeye Name: 9-(1-allylbut-3-enyl)-2-amino-3H-purin-6-one CAS Name: 2-amino-9-hepta-1,6-dien-4-yl-3H-purin-6-one IUPAC Name: 2-amino-9-hepta-1,6-dien-4-yl-3H-purin-6-one Traditional Name: 9-(1-allylbut-3-enyl)-2-amino-3H-purin-6-one Formula: C12H15N5O MolecularWeight: 245.2804

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(CC=C)N1C=NC2=C1NC(=NC2=O)N

Isomeric SMILES

C=CCC(CC=C)N1C=NC2=C1NC(=NC2=O)N

InChI

InChI=1S/C12H15N5O/c1-3-5-8(6-4-2)17-7-14-9-10(17)15-12(13)16-11(9)18/h3-4,7-8H,1-2,5-6H2,(H3,13,15,16,18)