ethyl 4-azanyl-2-[(4-azanylquinazolin-2-yl)methylsulfanyl]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[(4-azanylquinazolin-2-yl)methylsulfanyl]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[(4-aminoquinazolin-2-yl)methylsulfanyl]pyrimidine-5-carboxylate CAS Name: 4-amino-2-[(4-amino-2-quinazolinyl)methylthio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(4-aminoquinazolin-2-yl)methylsulfanyl]pyrimidine-5-carboxylate Traditional Name: 4-amino-2-[(4-aminoquinazolin-2-yl)methylthio]pyrimidine-5-carboxylic acid ethyl ester Formula: C16H16N6O2S MolecularWeight: 356.40224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC2=NC3=CC=CC=C3C(=N2)N

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC2=NC3=CC=CC=C3C(=N2)N

InChI

InChI=1S/C16H16N6O2S/c1-2-24-15(23)10-7-19-16(22-14(10)18)25-8-12-20-11-6-4-3-5-9(11)13(17)21-12/h3-7H,2,8H2,1H3,(H2,17,20,21)(H2,18,19,22)