6,7-dimethoxy-4-(pyridin-3-ylmethylamino)-1H-quinazoline-2-thione

Systemtic Name: 6,7-dimethoxy-4-(pyridin-3-ylmethylamino)-1H-quinazoline-2-thione Openeye Name: 6,7-dimethoxy-4-(3-pyridylmethylamino)-1H-quinazoline-2-thione CAS Name: 6,7-dimethoxy-4-(3-pyridinylmethylamino)-1H-quinazoline-2-thione IUPAC Name: 6,7-dimethoxy-4-(pyridin-3-ylmethylamino)-1H-quinazoline-2-thione Traditional Name: 6,7-dimethoxy-4-(3-pyridylmethylamino)-1H-quinazoline-2-thione Formula: C16H16N4O2S MolecularWeight: 328.38884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=S)N2)NCC3=CN=CC=C3)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=S)N2)NCC3=CN=CC=C3)OC

InChI

InChI=1S/C16H16N4O2S/c1-21-13-6-11-12(7-14(13)22-2)19-16(23)20-15(11)18-9-10-4-3-5-17-8-10/h3-8H,9H2,1-2H3,(H2,18,19,20,23)