sodium 1-imidazol-1-yl-3-[(phenylmethyl)amino]-2,4-dihydroquinazoline-5-carboxylic acid

Systemtic Name: sodium 1-imidazol-1-yl-3-[(phenylmethyl)amino]-2,4-dihydroquinazoline-5-carboxylic acid Openeye Name: sodium 3-(benzylamino)-1-imidazol-1-yl-2,4-dihydroquinazoline-5-carboxylic acid CAS Name: sodium 1-(1-imidazolyl)-3-[(phenylmethyl)amino]-2,4-dihydroquinazoline-5-carboxylic acid IUPAC Name: sodium 3-(benzylamino)-1-imidazol-1-yl-2,4-dihydroquinazoline-5-carboxylic acid Traditional Name: sodium 3-(benzylamino)-1-imidazol-1-yl-2,4-dihydroquinazoline-5-carboxylic acid Formula: C19H19N5NaO2+ MolecularWeight: 372.37623

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC=C2N(CN1NCC3=CC=CC=C3)N4C=CN=C4)C(=O)O.[Na+]

Isomeric SMILES

C1C2=C(C=CC=C2N(CN1NCC3=CC=CC=C3)N4C=CN=C4)C(=O)O.[Na+]

InChI

InChI=1S/C19H19N5O2.Na/c25-19(26)16-7-4-8-18-17(16)12-22(14-24(18)23-10-9-20-13-23)21-11-15-5-2-1-3-6-15;/h1-10,13,21H,11-12,14H2,(H,25,26);/q;+1