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

Systemtic Name: 4-azanyl-1-(4-azanyl-6,7-dimethoxy-2-piperazin-1-yl-1H-quinazolin-4-yl)butan-1-one dihydrobromide Openeye Name: 4-amino-1-(4-amino-6,7-dimethoxy-2-piperazin-1-yl-1H-quinazolin-4-yl)butan-1-one dihydrobromide CAS Name: 4-amino-1-[4-amino-6,7-dimethoxy-2-(1-piperazinyl)-1H-quinazolin-4-yl]-1-butanone dihydrobromide IUPAC Name: 4-amino-1-(4-amino-6,7-dimethoxy-2-piperazin-1-yl-1H-quinazolin-4-yl)butan-1-one dihydrobromide Traditional Name: 4-amino-1-(4-amino-6,7-dimethoxy-2-piperazino-1H-quinazolin-4-yl)butan-1-one dihydrobromide Formula: C18H30Br2N6O3 MolecularWeight: 538.2772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N6O3.2BrH/c1-26-14-10-12-13(11-15(14)27-2)22-17(24-8-6-21-7-9-24)23-18(12,20)16(25)4-3-5-19;;/h10-11,21H,3-9,19-20H2,1-2H3,(H,22,23);2*1H