2-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-N,3-bis(oxolan-2-ylmethyl)quinazoline-7-carboxamide

Systemtic Name: 2-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-N,3-bis(oxolan-2-ylmethyl)quinazoline-7-carboxamide Openeye Name: 2-[2-(cyclohexylamino)-2-oxo-ethyl]sulfanyl-4-oxo-N,3-bis(tetrahydrofuran-2-ylmethyl)quinazoline-7-carboxamide CAS Name: 2-[[2-(cyclohexylamino)-2-oxoethyl]thio]-4-oxo-N,3-bis(2-oxolanylmethyl)-7-quinazolinecarboxamide IUPAC Name: 2-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-4-oxo-N,3-bis(oxolan-2-ylmethyl)quinazoline-7-carboxamide Traditional Name: 2-[[2-(cyclohexylamino)-2-keto-ethyl]thio]-4-keto-N,3-bis(tetrahydrofurfuryl)quinazoline-7-carboxamide Formula: C27H36N4O5S MolecularWeight: 528.66354

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CSC2=NC3=C(C=CC(=C3)C(=O)NCC4CCCO4)C(=O)N2CC5CCCO5

Isomeric SMILES

C1CCC(CC1)NC(=O)CSC2=NC3=C(C=CC(=C3)C(=O)NCC4CCCO4)C(=O)N2CC5CCCO5

InChI

InChI=1S/C27H36N4O5S/c32-24(29-19-6-2-1-3-7-19)17-37-27-30-23-14-18(25(33)28-15-20-8-4-12-35-20)10-11-22(23)26(34)31(27)16-21-9-5-13-36-21/h10-11,14,19-21H,1-9,12-13,15-17H2,(H,28,33)(H,29,32)