ethyl 7-[[3-(N-ethoxycarbonyl-S-methyl-sulfonimidoyl)phenyl]methoxy]-4-(propan-2-ylamino)quinazoline-6-carboxylate

Systemtic Name: ethyl 7-[[3-(N-ethoxycarbonyl-S-methyl-sulfonimidoyl)phenyl]methoxy]-4-(propan-2-ylamino)quinazoline-6-carboxylate Openeye Name: ethyl 7-[[3-(N-ethoxycarbonyl-S-methyl-sulfonimidoyl)phenyl]methoxy]-4-(isopropylamino)quinazoline-6-carboxylate CAS Name: 7-[[3-(N-ethoxycarbonyl-S-methylsulfonimidoyl)phenyl]methoxy]-4-(propan-2-ylamino)-6-quinazolinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-[[3-(N-ethoxycarbonyl-S-methylsulfonimidoyl)phenyl]methoxy]-4-(propan-2-ylamino)quinazoline-6-carboxylate Traditional Name: 7-[3-(N-carbethoxy-S-methyl-sulfonimidoyl)benzyl]oxy-4-(isopropylamino)quinazoline-6-carboxylic acid ethyl ester Formula: C25H30N4O6S MolecularWeight: 514.5939

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C2C(=C1)C(=NC=N2)NC(C)C)OCC3=CC(=CC=C3)S(=NC(=O)OCC)(=O)C

Isomeric SMILES

CCOC(=O)C1=C(C=C2C(=C1)C(=NC=N2)NC(C)C)OCC3=CC(=CC=C3)S(=NC(=O)OCC)(=O)C

InChI

InChI=1S/C25H30N4O6S/c1-6-33-24(30)20-12-19-21(26-15-27-23(19)28-16(3)4)13-22(20)35-14-17-9-8-10-18(11-17)36(5,32)29-25(31)34-7-2/h8-13,15-16H,6-7,14H2,1-5H3,(H,26,27,28)