(2R)-2-[3-(3,3-diethoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(pyridin-3-ylmethyl)butanamide

Systemtic Name: (2R)-2-[3-(3,3-diethoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(pyridin-3-ylmethyl)butanamide Openeye Name: (2R)-2-[3-(3,3-diethoxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(3-pyridylmethyl)butanamide CAS Name: (2R)-2-[[3-(3,3-diethoxypropyl)-4-oxo-2-quinazolinyl]thio]-N-(3-pyridinylmethyl)butanamide IUPAC Name: (2R)-2-[3-(3,3-diethoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(pyridin-3-ylmethyl)butanamide Traditional Name: (2R)-2-[[3-(3,3-diethoxypropyl)-4-keto-quinazolin-2-yl]thio]-N-(3-pyridylmethyl)butyramide Formula: C25H32N4O4S MolecularWeight: 484.61098

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CN=CC=C1)SC2=NC3=CC=CC=C3C(=O)N2CCC(OCC)OCC

Isomeric SMILES

CC[C@H](C(=O)NCC1=CN=CC=C1)SC2=NC3=CC=CC=C3C(=O)N2CCC(OCC)OCC

InChI

InChI=1S/C25H32N4O4S/c1-4-21(23(30)27-17-18-10-9-14-26-16-18)34-25-28-20-12-8-7-11-19(20)24(31)29(25)15-13-22(32-5-2)33-6-3/h7-12,14,16,21-22H,4-6,13,15,17H2,1-3H3,(H,27,30)/t21-/m1/s1