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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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