4-[1,3-bis(oxidanyl)propan-2-ylamino]-2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1H-quinazoline-8-carboxamide

Systemtic Name: 4-[1,3-bis(oxidanyl)propan-2-ylamino]-2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1H-quinazoline-8-carboxamide Openeye Name: 4-[[2-hydroxy-1-(hydroxymethyl)ethyl]amino]-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-quinazoline-8-carboxamide CAS Name: 4-(1,3-dihydroxypropan-2-ylamino)-2-(4-oxo-1-cyclohexa-2,5-dienylidene)-1H-quinazoline-8-carboxamide IUPAC Name: 4-(1,3-dihydroxypropan-2-ylamino)-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-quinazoline-8-carboxamide Traditional Name: 4-[(2-hydroxy-1-methylol-ethyl)amino]-2-(4-ketocyclohexa-2,5-dien-1-ylidene)-1H-quinazoline-8-carboxamide Formula: C18H18N4O4 MolecularWeight: 354.35992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)C(=O)N)NC(=C3C=CC(=O)C=C3)N=C2NC(CO)CO

Isomeric SMILES

C1=CC2=C(C(=C1)C(=O)N)NC(=C3C=CC(=O)C=C3)N=C2NC(CO)CO

InChI

InChI=1S/C18H18N4O4/c19-16(26)13-2-1-3-14-15(13)21-17(10-4-6-12(25)7-5-10)22-18(14)20-11(8-23)9-24/h1-7,11,21,23-24H,8-9H2,(H2,19,26)(H,20,22)