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

Systemtic Name: (2R)-N-(1-adamantyl)-2-[3-[(2R)-1-methoxypropan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: (2R)-N-(1-adamantyl)-2-[3-[(1R)-2-methoxy-1-methyl-ethyl]-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: (2R)-N-(1-adamantyl)-2-[[3-[(2R)-1-methoxypropan-2-yl]-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: (2R)-N-(1-adamantyl)-2-[3-[(2R)-1-methoxypropan-2-yl]-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: (2R)-N-(1-adamantyl)-2-[[4-keto-3-[(1R)-2-methoxy-1-methyl-ethyl]quinazolin-2-yl]thio]propionamide Formula: C25H33N3O3S MolecularWeight: 455.61282

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)N1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[C@H](COC)N1C(=O)C2=CC=CC=C2N=C1S[C@H](C)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H33N3O3S/c1-15(14-31-3)28-23(30)20-6-4-5-7-21(20)26-24(28)32-16(2)22(29)27-25-11-17-8-18(12-25)10-19(9-17)13-25/h4-7,15-19H,8-14H2,1-3H3,(H,27,29)/t15-,16-,17?,18?,19?,25?/m1/s1