3-[2-[4-[(4-azanylquinazolin-7-yl)methyl]-3-oxidanylidene-piperazin-1-yl]-2-oxidanylidene-ethyl]benzenecarboximidamide

Systemtic Name: 3-[2-[4-[(4-azanylquinazolin-7-yl)methyl]-3-oxidanylidene-piperazin-1-yl]-2-oxidanylidene-ethyl]benzenecarboximidamide Openeye Name: 3-[2-[4-[(4-aminoquinazolin-7-yl)methyl]-3-oxo-piperazin-1-yl]-2-oxo-ethyl]benzamidine CAS Name: 3-[2-[4-[(4-amino-7-quinazolinyl)methyl]-3-oxo-1-piperazinyl]-2-oxoethyl]benzenecarboximidamide IUPAC Name: 3-[2-[4-[(4-aminoquinazolin-7-yl)methyl]-3-oxopiperazin-1-yl]-2-oxoethyl]benzenecarboximidamide Traditional Name: 3-[2-[4-[(4-aminoquinazolin-7-yl)methyl]-3-keto-piperazino]-2-keto-ethyl]benzamidine Formula: C22H23N7O2 MolecularWeight: 417.46372

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1C(=O)CC2=CC=CC(=C2)C(=N)N)CC3=CC4=C(C=C3)C(=NC=N4)N

Isomeric SMILES

C1CN(C(=O)CN1C(=O)CC2=CC=CC(=C2)C(=N)N)CC3=CC4=C(C=C3)C(=NC=N4)N

InChI

InChI=1S/C22H23N7O2/c23-21(24)16-3-1-2-14(8-16)10-19(30)29-7-6-28(20(31)12-29)11-15-4-5-17-18(9-15)26-13-27-22(17)25/h1-5,8-9,13H,6-7,10-12H2,(H3,23,24)(H2,25,26,27)