1-[4-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-6,7-dimethoxy-1-benzofuran-2-yl]prop-2-en-1-one

Systemtic Name: 1-[4-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-6,7-dimethoxy-1-benzofuran-2-yl]prop-2-en-1-one Openeye Name: 1-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-6,7-dimethoxy-benzofuran-2-yl]prop-2-en-1-one CAS Name: 1-[4-[(2,4-diamino-5-pyrimidinyl)methyl]-6,7-dimethoxy-2-benzofuranyl]-2-propen-1-one IUPAC Name: 1-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-6,7-dimethoxy-1-benzofuran-2-yl]prop-2-en-1-one Traditional Name: 1-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-6,7-dimethoxy-benzofuran-2-yl]prop-2-en-1-one Formula: C18H18N4O4 MolecularWeight: 354.35992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C(O2)C(=O)C=C)C(=C1)CC3=CN=C(N=C3N)N)OC

Isomeric SMILES

COC1=C(C2=C(C=C(O2)C(=O)C=C)C(=C1)CC3=CN=C(N=C3N)N)OC

InChI

InChI=1S/C18H18N4O4/c1-4-12(23)13-7-11-9(5-10-8-21-18(20)22-17(10)19)6-14(24-2)16(25-3)15(11)26-13/h4,6-8H,1,5H2,2-3H3,(H4,19,20,21,22)