3-[6,7-bis(azanyl)-4-oxidanylidene-1H-quinazolin-2-yl]-N-(2-dimethylaminoethyl)-4-propoxy-benzenesulfonamide

Systemtic Name: 3-[6,7-bis(azanyl)-4-oxidanylidene-1H-quinazolin-2-yl]-N-(2-dimethylaminoethyl)-4-propoxy-benzenesulfonamide Openeye Name: 3-(6,7-diamino-4-oxo-1H-quinazolin-2-yl)-N-(2-dimethylaminoethyl)-4-propoxy-benzenesulfonamide CAS Name: 3-(6,7-diamino-4-oxo-1H-quinazolin-2-yl)-N-(2-dimethylaminoethyl)-4-propoxybenzenesulfonamide IUPAC Name: 3-(6,7-diamino-4-oxo-1H-quinazolin-2-yl)-N-(2-dimethylaminoethyl)-4-propoxybenzenesulfonamide Traditional Name: 3-(6,7-diamino-4-keto-1H-quinazolin-2-yl)-N-(2-dimethylaminoethyl)-4-propoxy-benzenesulfonamide Formula: C21H28N6O4S MolecularWeight: 460.54982

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)NCCN(C)C)C2=NC(=O)C3=CC(=C(C=C3N2)N)N

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)NCCN(C)C)C2=NC(=O)C3=CC(=C(C=C3N2)N)N

InChI

InChI=1S/C21H28N6O4S/c1-4-9-31-19-6-5-13(32(29,30)24-7-8-27(2)3)10-15(19)20-25-18-12-17(23)16(22)11-14(18)21(28)26-20/h5-6,10-12,24H,4,7-9,22-23H2,1-3H3,(H,25,26,28)