3-azanyl-1-(4-azanyl-6,7-dimethoxy-2-piperazin-1-yl-1H-quinazolin-4-yl)propan-1-one dihydrobromide

Systemtic Name: 3-azanyl-1-(4-azanyl-6,7-dimethoxy-2-piperazin-1-yl-1H-quinazolin-4-yl)propan-1-one dihydrobromide Openeye Name: 3-amino-1-(4-amino-6,7-dimethoxy-2-piperazin-1-yl-1H-quinazolin-4-yl)propan-1-one dihydrobromide CAS Name: 3-amino-1-[4-amino-6,7-dimethoxy-2-(1-piperazinyl)-1H-quinazolin-4-yl]-1-propanone dihydrobromide IUPAC Name: 3-amino-1-(4-amino-6,7-dimethoxy-2-piperazin-1-yl-1H-quinazolin-4-yl)propan-1-one dihydrobromide Traditional Name: 3-amino-1-(4-amino-6,7-dimethoxy-2-piperazino-1H-quinazolin-4-yl)propan-1-one dihydrobromide Formula: C17H28Br2N6O3 MolecularWeight: 524.25062

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(N=C(N2)N3CCNCC3)(C(=O)CCN)N)OC.Br.Br

Isomeric SMILES

COC1=C(C=C2C(=C1)C(N=C(N2)N3CCNCC3)(C(=O)CCN)N)OC.Br.Br

InChI

InChI=1S/C17H26N6O3.2BrH/c1-25-13-9-11-12(10-14(13)26-2)21-16(23-7-5-20-6-8-23)22-17(11,19)15(24)3-4-18;;/h9-10,20H,3-8,18-19H2,1-2H3,(H,21,22);2*1H