4-(2-azanyl-2-oxidanylidene-ethyl)-2-methyl-N-[(4-oxidanylidenequinazolin-3-yl)methyl]piperazine-1-carboxamide pentahydrochloride

Systemtic Name: 4-(2-azanyl-2-oxidanylidene-ethyl)-2-methyl-N-[(4-oxidanylidenequinazolin-3-yl)methyl]piperazine-1-carboxamide pentahydrochloride Openeye Name: 4-(2-amino-2-oxo-ethyl)-2-methyl-N-[(4-oxoquinazolin-3-yl)methyl]piperazine-1-carboxamide pentahydrochloride CAS Name: 4-(2-amino-2-oxoethyl)-2-methyl-N-[(4-oxo-3-quinazolinyl)methyl]-1-piperazinecarboxamide pentahydrochloride IUPAC Name: 4-(2-amino-2-oxoethyl)-2-methyl-N-[(4-oxoquinazolin-3-yl)methyl]piperazine-1-carboxamide pentahydrochloride Traditional Name: 4-(2-amino-2-keto-ethyl)-N-[(4-ketoquinazolin-3-yl)methyl]-2-methyl-piperazine-1-carboxamide pentahydrochloride Formula: C17H27Cl5N6O3 MolecularWeight: 540.69968

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)NCN2C=NC3=CC=CC=C3C2=O)CC(=O)N.Cl.Cl.Cl.Cl.Cl

Isomeric SMILES

CC1CN(CCN1C(=O)NCN2C=NC3=CC=CC=C3C2=O)CC(=O)N.Cl.Cl.Cl.Cl.Cl

InChI

InChI=1S/C17H22N6O3.5ClH/c1-12-8-21(9-15(18)24)6-7-23(12)17(26)20-11-22-10-19-14-5-3-2-4-13(14)16(22)25;;;;;/h2-5,10,12H,6-9,11H2,1H3,(H2,18,24)(H,20,26);5*1H