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

Systemtic Name: 3-[2-[4-[(4-azanylquinazolin-7-yl)methyl]-2-(methoxymethyl)-3-oxidanylidene-piperazin-1-yl]-2-oxidanylidene-ethyl]benzenecarboximidamide Openeye Name: 3-[2-[4-[(4-aminoquinazolin-7-yl)methyl]-2-(methoxymethyl)-3-oxo-piperazin-1-yl]-2-oxo-ethyl]benzamidine CAS Name: 3-[2-[4-[(4-amino-7-quinazolinyl)methyl]-2-(methoxymethyl)-3-oxo-1-piperazinyl]-2-oxoethyl]benzenecarboximidamide IUPAC Name: 3-[2-[4-[(4-aminoquinazolin-7-yl)methyl]-2-(methoxymethyl)-3-oxopiperazin-1-yl]-2-oxoethyl]benzenecarboximidamide Traditional Name: 3-[2-[4-[(4-aminoquinazolin-7-yl)methyl]-3-keto-2-(methoxymethyl)piperazino]-2-keto-ethyl]benzamidine Formula: C24H27N7O3 MolecularWeight: 461.51628

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Descriptors Computed from Structure

Canonical SMILES:

COCC1C(=O)N(CCN1C(=O)CC2=CC=CC(=C2)C(=N)N)CC3=CC4=C(C=C3)C(=NC=N4)N

Isomeric SMILES

COCC1C(=O)N(CCN1C(=O)CC2=CC=CC(=C2)C(=N)N)CC3=CC4=C(C=C3)C(=NC=N4)N

InChI

InChI=1S/C24H27N7O3/c1-34-13-20-24(33)30(12-16-5-6-18-19(10-16)28-14-29-23(18)27)7-8-31(20)21(32)11-15-3-2-4-17(9-15)22(25)26/h2-6,9-10,14,20H,7-8,11-13H2,1H3,(H3,25,26)(H2,27,28,29)