6-azanyl-3-(furan-2-ylmethyl)-4aH-quinazolin-3-ium-4-one

Systemtic Name: 6-azanyl-3-(furan-2-ylmethyl)-4aH-quinazolin-3-ium-4-one Openeye Name: 6-amino-3-(2-furylmethyl)-4aH-quinazolin-3-ium-4-one CAS Name: 6-amino-3-(2-furanylmethyl)-4aH-quinazolin-3-ium-4-one IUPAC Name: 6-amino-3-(furan-2-ylmethyl)-4aH-quinazolin-3-ium-4-one Traditional Name: 6-amino-3-(2-furfuryl)-4aH-quinazolin-3-ium-4-one Formula: C13H12N3O2+ MolecularWeight: 242.25328

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C[N+]2=CN=C3C=CC(=CC3C2=O)N

Isomeric SMILES

C1=COC(=C1)C[N+]2=CN=C3C=CC(=CC3C2=O)N

InChI

InChI=1S/C13H12N3O2/c14-9-3-4-12-11(6-9)13(17)16(8-15-12)7-10-2-1-5-18-10/h1-6,8,11H,7,14H2/q+1