7-azanylisochromen-1-one; pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 7-azanylisochromen-1-one; pyrido[1,2-a]pyrimidin-4-one Openeye Name: 7-aminoisochromen-1-one; pyrido[1,2-a]pyrimidin-4-one CAS Name: 7-amino-2-benzopyran-1-one; 4-pyrido[1,2-a]pyrimidinone IUPAC Name: 7-aminoisochromen-1-one; pyrido[1,2-a]pyrimidin-4-one Traditional Name: 7-aminoisocoumarin; pyrido[1,2-a]pyrimidin-4-one Formula: C17H13N3O3 MolecularWeight: 307.30342

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NC=CC(=O)N2C=C1.C1=CC(=CC2=C1C=COC2=O)N

Isomeric SMILES

C1=CC2=NC=CC(=O)N2C=C1.C1=CC(=CC2=C1C=COC2=O)N

InChI

InChI=1S/C9H7NO2.C8H6N2O/c10-7-2-1-6-3-4-12-9(11)8(6)5-7;11-8-4-5-9-7-3-1-2-6-10(7)8/h1-5H,10H2;1-6H