3-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-3-oxidanylidene-propanamide hydrate hydrochloride

Systemtic Name: 3-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-3-oxidanylidene-propanamide hydrate hydrochloride Openeye Name: 3-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-3-oxo-propanamide hydrate hydrochloride CAS Name: 3-[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-3-oxopropanamide hydrate hydrochloride IUPAC Name: 3-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-3-oxopropanamide hydrate hydrochloride Traditional Name: 3-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazino]-3-keto-propionamide hydrate hydrochloride Formula: C17H25ClN6O5 MolecularWeight: 428.8706

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)CC(=O)N)N)OC.O.Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)CC(=O)N)N)OC.O.Cl

InChI

InChI=1S/C17H22N6O4.ClH.H2O/c1-26-12-7-10-11(8-13(12)27-2)20-17(21-16(10)19)23-5-3-22(4-6-23)15(25)9-14(18)24;;/h7-8H,3-6,9H2,1-2H3,(H2,18,24)(H2,19,20,21);1H;1H2