methyl 2-[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-3-(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-3-(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-[(1R)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl]sulfanyl-3-isobutyl-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]thio]-3-(2-methylpropyl)-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]sulfanyl-3-(2-methylpropyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 3-isobutyl-4-keto-2-[[(1R)-2-keto-1-methyl-2-(piperonylamino)ethyl]thio]quinazoline-7-carboxylic acid methyl ester Formula: C25H27N3O6S MolecularWeight: 497.56338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SC(C)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[C@H](C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NC4=C(C=CC(=C4)C(=O)OC)C(=O)N3CC(C)C

InChI

InChI=1S/C25H27N3O6S/c1-14(2)12-28-23(30)18-7-6-17(24(31)32-4)10-19(18)27-25(28)35-15(3)22(29)26-11-16-5-8-20-21(9-16)34-13-33-20/h5-10,14-15H,11-13H2,1-4H3,(H,26,29)/t15-/m1/s1