(4-azanyl-6,7-dimethoxy-2-piperazin-1-yl-quinazolin-5-yl)-(oxolan-2-yl)methanone dihydrate hydrochloride

Systemtic Name: (4-azanyl-6,7-dimethoxy-2-piperazin-1-yl-quinazolin-5-yl)-(oxolan-2-yl)methanone dihydrate hydrochloride Openeye Name: (4-amino-6,7-dimethoxy-2-piperazin-1-yl-quinazolin-5-yl)-tetrahydrofuran-2-yl-methanone dihydrate hydrochloride CAS Name: [4-amino-6,7-dimethoxy-2-(1-piperazinyl)-5-quinazolinyl]-(2-oxolanyl)methanone dihydrate hydrochloride IUPAC Name: (4-amino-6,7-dimethoxy-2-piperazin-1-ylquinazolin-5-yl)-(oxolan-2-yl)methanone dihydrate hydrochloride Traditional Name: (4-amino-6,7-dimethoxy-2-piperazino-quinazolin-5-yl)-(tetrahydrofuryl)methanone dihydrate hydrochloride Formula: C19H30ClN5O6 MolecularWeight: 459.9244

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)N=C(N=C2N)N3CCNCC3)C(=O)C4CCCO4)OC.O.O.Cl

Isomeric SMILES

COC1=C(C(=C2C(=C1)N=C(N=C2N)N3CCNCC3)C(=O)C4CCCO4)OC.O.O.Cl

InChI

InChI=1S/C19H25N5O4.ClH.2H2O/c1-26-13-10-11-14(15(17(13)27-2)16(25)12-4-3-9-28-12)18(20)23-19(22-11)24-7-5-21-6-8-24;;;/h10,12,21H,3-9H2,1-2H3,(H2,20,22,23);1H;2*1H2