2-imidazol-1-yl-4-[(phenylmethyl)amino]-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid dihydrochloride

Systemtic Name: 2-imidazol-1-yl-4-[(phenylmethyl)amino]-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid dihydrochloride Openeye Name: 4-(benzylamino)-2-imidazol-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid dihydrochloride CAS Name: 2-(1-imidazolyl)-4-[(phenylmethyl)amino]-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid dihydrochloride IUPAC Name: 4-(benzylamino)-2-imidazol-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid dihydrochloride Traditional Name: 4-(benzylamino)-2-imidazol-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid dihydrochloride Formula: C19H21Cl2N5O2 MolecularWeight: 422.30834

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(CC1C(=O)O)C(=NC(=N2)N3C=CN=C3)NCC4=CC=CC=C4.Cl.Cl

Isomeric SMILES

C1CC2=C(CC1C(=O)O)C(=NC(=N2)N3C=CN=C3)NCC4=CC=CC=C4.Cl.Cl

InChI

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