3-[5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2,3-dimethoxy-phenyl]furan-2-carbaldehyde

Systemtic Name: 3-[5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-2,3-dimethoxy-phenyl]furan-2-carbaldehyde Openeye Name: 3-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxy-phenyl]furan-2-carbaldehyde CAS Name: 3-[5-[(2,4-diamino-5-pyrimidinyl)methyl]-2,3-dimethoxyphenyl]-2-furancarboxaldehyde IUPAC Name: 3-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]furan-2-carbaldehyde Traditional Name: 3-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxy-phenyl]furfural Formula: C18H18N4O4 MolecularWeight: 354.35992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CC2=CN=C(N=C2N)N)C3=C(OC=C3)C=O)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)CC2=CN=C(N=C2N)N)C3=C(OC=C3)C=O)OC

InChI

InChI=1S/C18H18N4O4/c1-24-14-7-10(5-11-8-21-18(20)22-17(11)19)6-13(16(14)25-2)12-3-4-26-15(12)9-23/h3-4,6-9H,5H2,1-2H3,(H4,19,20,21,22)