N-(1-adamantyl)-2-[3-(5-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(1-adamantyl)-2-[3-(5-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(1-adamantyl)-2-[3-(5-methyl-2-pyridyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-(1-adamantyl)-2-[[3-(5-methyl-2-pyridinyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: N-(1-adamantyl)-2-[3-(5-methylpyridin-2-yl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: N-(1-adamantyl)-2-[[4-keto-3-(5-methyl-2-pyridyl)quinazolin-2-yl]thio]propionamide Formula: C27H30N4O2S MolecularWeight: 474.6177

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CN=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H30N4O2S/c1-16-7-8-23(28-15-16)31-25(33)21-5-3-4-6-22(21)29-26(31)34-17(2)24(32)30-27-12-18-9-19(13-27)11-20(10-18)14-27/h3-8,15,17-20H,9-14H2,1-2H3,(H,30,32)