2-[3-azanyl-5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-1H-quinazolin-3-ium-4-one

Systemtic Name: 2-[3-azanyl-5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-1H-quinazolin-3-ium-4-one Openeye Name: 2-[3-amino-5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-1H-quinazolin-3-ium-4-one CAS Name: 2-[3-amino-5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-1H-quinazolin-3-ium-4-one IUPAC Name: 2-[3-amino-5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-1H-quinazolin-3-ium-4-one Traditional Name: 2-[3-amino-5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-1H-quinazolin-3-ium-4-one Formula: C18H16N5O2+ MolecularWeight: 334.35194

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=NN2)N)C3=[NH+]C(=O)C4=CC=CC=C4N3

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=NN2)N)C3=[NH+]C(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C18H15N5O2/c1-25-11-8-6-10(7-9-11)15-14(16(19)23-22-15)17-20-13-5-3-2-4-12(13)18(24)21-17/h2-9H,1H3,(H3,19,22,23)(H,20,21,24)/p+1