2-azanyl-4-chloranyl-6-[[1-(hydroxymethyl)-3-phenethyl-cyclobutyl]methylamino]pyrimidine-5-carbaldehyde

Systemtic Name: 2-azanyl-4-chloranyl-6-[[1-(hydroxymethyl)-3-phenethyl-cyclobutyl]methylamino]pyrimidine-5-carbaldehyde Openeye Name: 2-amino-4-chloro-6-[[1-(hydroxymethyl)-3-phenethyl-cyclobutyl]methylamino]pyrimidine-5-carbaldehyde CAS Name: 2-amino-4-chloro-6-[[1-(hydroxymethyl)-3-phenethylcyclobutyl]methylamino]-5-pyrimidinecarboxaldehyde IUPAC Name: 2-amino-4-chloro-6-[[1-(hydroxymethyl)-3-phenethylcyclobutyl]methylamino]pyrimidine-5-carbaldehyde Traditional Name: 2-amino-4-chloro-6-[(1-methylol-3-phenethyl-cyclobutyl)methylamino]pyrimidine-5-carbaldehyde Formula: C19H23ClN4O2 MolecularWeight: 374.86452

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC1(CNC2=C(C(=NC(=N2)N)Cl)C=O)CO)CCC3=CC=CC=C3

Isomeric SMILES

C1C(CC1(CNC2=C(C(=NC(=N2)N)Cl)C=O)CO)CCC3=CC=CC=C3

InChI

InChI=1S/C19H23ClN4O2/c20-16-15(10-25)17(24-18(21)23-16)22-11-19(12-26)8-14(9-19)7-6-13-4-2-1-3-5-13/h1-5,10,14,26H,6-9,11-12H2,(H3,21,22,23,24)