(2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(methylamino)quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(methylamino)quinazolin-2-yl]sulfanyl-propanamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(methylamino)quinazolin-2-yl]sulfanyl-propanamide CAS Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[[4-(methylamino)-2-quinazolinyl]thio]propanamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(methylamino)quinazolin-2-yl]sulfanylpropanamide Traditional Name: (2R)-2-[[4-(methylamino)quinazolin-2-yl]thio]-N-piperonyl-propionamide Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NC4=CC=CC=C4C(=N3)NC

Isomeric SMILES

C[C@H](C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NC4=CC=CC=C4C(=N3)NC

InChI

InChI=1S/C20H20N4O3S/c1-12(19(25)22-10-13-7-8-16-17(9-13)27-11-26-16)28-20-23-15-6-4-3-5-14(15)18(21-2)24-20/h3-9,12H,10-11H2,1-2H3,(H,22,25)(H,21,23,24)/t12-/m1/s1