(4-azanylquinazolin-2-yl)methyl 4-(1,3-dithian-2-yl)benzoate

Systemtic Name: (4-azanylquinazolin-2-yl)methyl 4-(1,3-dithian-2-yl)benzoate Openeye Name: (4-aminoquinazolin-2-yl)methyl 4-(1,3-dithian-2-yl)benzoate CAS Name: 4-(1,3-dithian-2-yl)benzoic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl 4-(1,3-dithian-2-yl)benzoate Traditional Name: 4-(1,3-dithian-2-yl)benzoic acid (4-aminoquinazolin-2-yl)methyl ester Formula: C20H19N3O2S2 MolecularWeight: 397.51376

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(SC1)C2=CC=C(C=C2)C(=O)OCC3=NC4=CC=CC=C4C(=N3)N

Isomeric SMILES

C1CSC(SC1)C2=CC=C(C=C2)C(=O)OCC3=NC4=CC=CC=C4C(=N3)N

InChI

InChI=1S/C20H19N3O2S2/c21-18-15-4-1-2-5-16(15)22-17(23-18)12-25-19(24)13-6-8-14(9-7-13)20-26-10-3-11-27-20/h1-2,4-9,20H,3,10-12H2,(H2,21,22,23)