2-[2-(butan-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-3-(furan-2-ylmethyl)-4-oxidanylidene-N-(oxolan-2-ylmethyl)quinazoline-7-carboxamide

Systemtic Name: 2-[2-(butan-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-3-(furan-2-ylmethyl)-4-oxidanylidene-N-(oxolan-2-ylmethyl)quinazoline-7-carboxamide Openeye Name: 3-(2-furylmethyl)-4-oxo-2-[2-oxo-2-(sec-butylamino)ethyl]sulfanyl-N-(tetrahydrofuran-2-ylmethyl)quinazoline-7-carboxamide CAS Name: 2-[[2-(butan-2-ylamino)-2-oxoethyl]thio]-3-(2-furanylmethyl)-4-oxo-N-(2-oxolanylmethyl)-7-quinazolinecarboxamide IUPAC Name: 2-[2-(butan-2-ylamino)-2-oxoethyl]sulfanyl-3-(furan-2-ylmethyl)-4-oxo-N-(oxolan-2-ylmethyl)quinazoline-7-carboxamide Traditional Name: 3-(2-furfuryl)-4-keto-2-[[2-keto-2-(sec-butylamino)ethyl]thio]-N-(tetrahydrofurfuryl)quinazoline-7-carboxamide Formula: C25H30N4O5S MolecularWeight: 498.5945

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)NCC3CCCO3)C(=O)N1CC4=CC=CO4

Isomeric SMILES

CCC(C)NC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)NCC3CCCO3)C(=O)N1CC4=CC=CO4

InChI

InChI=1S/C25H30N4O5S/c1-3-16(2)27-22(30)15-35-25-28-21-12-17(23(31)26-13-18-6-4-10-33-18)8-9-20(21)24(32)29(25)14-19-7-5-11-34-19/h5,7-9,11-12,16,18H,3-4,6,10,13-15H2,1-2H3,(H,26,31)(H,27,30)