N-(3-methoxyphenyl)-2-[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(3-methoxyphenyl)-2-[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(3-methoxyphenyl)-2-[4-(tetrahydrofuran-2-ylmethylamino)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(3-methoxyphenyl)-2-[[4-(2-oxolanylmethylamino)-2-quinazolinyl]thio]acetamide IUPAC Name: N-(3-methoxyphenyl)-2-[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-(3-methoxyphenyl)-2-[[4-(tetrahydrofurfurylamino)quinazolin-2-yl]thio]acetamide Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)NCC4CCCO4

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)NCC4CCCO4

InChI

InChI=1S/C22H24N4O3S/c1-28-16-7-4-6-15(12-16)24-20(27)14-30-22-25-19-10-3-2-9-18(19)21(26-22)23-13-17-8-5-11-29-17/h2-4,6-7,9-10,12,17H,5,8,11,13-14H2,1H3,(H,24,27)(H,23,25,26)