methyl 2-(4-azanyl-2-sulfanylidene-quinazolin-3-yl)-4-methyl-pentanoate

Systemtic Name: methyl 2-(4-azanyl-2-sulfanylidene-quinazolin-3-yl)-4-methyl-pentanoate Openeye Name: methyl 2-(4-amino-2-thioxo-quinazolin-3-yl)-4-methyl-pentanoate CAS Name: 2-(4-amino-2-sulfanylidene-3-quinazolinyl)-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-(4-amino-2-sulfanylidenequinazolin-3-yl)-4-methylpentanoate Traditional Name: 2-(4-amino-2-thioxo-quinazolin-3-yl)-4-methyl-valeric acid methyl ester Formula: C15H19N3O2S MolecularWeight: 305.39526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)N1C(=C2C=CC=CC2=NC1=S)N

Isomeric SMILES

CC(C)CC(C(=O)OC)N1C(=C2C=CC=CC2=NC1=S)N

InChI

InChI=1S/C15H19N3O2S/c1-9(2)8-12(14(19)20-3)18-13(16)10-6-4-5-7-11(10)17-15(18)21/h4-7,9,12H,8,16H2,1-3H3