[4-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-6,7-dimethoxy-1-benzofuran-2-yl]-phenyl-methanethione

Systemtic Name: [4-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-6,7-dimethoxy-1-benzofuran-2-yl]-phenyl-methanethione Openeye Name: [4-[(2,4-diaminopyrimidin-5-yl)methyl]-6,7-dimethoxy-benzofuran-2-yl]-phenyl-methanethione CAS Name: [4-[(2,4-diamino-5-pyrimidinyl)methyl]-6,7-dimethoxy-2-benzofuranyl]-phenylmethanethione IUPAC Name: [4-[(2,4-diaminopyrimidin-5-yl)methyl]-6,7-dimethoxy-1-benzofuran-2-yl]-phenylmethanethione Traditional Name: [4-[(2,4-diaminopyrimidin-5-yl)methyl]-6,7-dimethoxy-benzofuran-2-yl]-phenyl-methanethione Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C(O2)C(=S)C3=CC=CC=C3)C(=C1)CC4=CN=C(N=C4N)N)OC

Isomeric SMILES

COC1=C(C2=C(C=C(O2)C(=S)C3=CC=CC=C3)C(=C1)CC4=CN=C(N=C4N)N)OC

InChI

InChI=1S/C22H20N4O3S/c1-27-16-9-13(8-14-11-25-22(24)26-21(14)23)15-10-17(29-18(15)19(16)28-2)20(30)12-6-4-3-5-7-12/h3-7,9-11H,8H2,1-2H3,(H4,23,24,25,26)