2-azanyl-4-[but-3-ynyl-(phenylmethyl)amino]-6-methoxy-pyrimidine-5-carbaldehyde

Systemtic Name: 2-azanyl-4-[but-3-ynyl-(phenylmethyl)amino]-6-methoxy-pyrimidine-5-carbaldehyde Openeye Name: 2-amino-4-[benzyl(but-3-ynyl)amino]-6-methoxy-pyrimidine-5-carbaldehyde CAS Name: 2-amino-4-[but-3-ynyl-(phenylmethyl)amino]-6-methoxy-5-pyrimidinecarboxaldehyde IUPAC Name: 2-amino-4-[benzyl(but-3-ynyl)amino]-6-methoxypyrimidine-5-carbaldehyde Traditional Name: 2-amino-4-[benzyl(but-3-ynyl)amino]-6-methoxy-pyrimidine-5-carbaldehyde Formula: C17H18N4O2 MolecularWeight: 310.35042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=C1C=O)N(CCC#C)CC2=CC=CC=C2)N

Isomeric SMILES

COC1=NC(=NC(=C1C=O)N(CCC#C)CC2=CC=CC=C2)N

InChI

InChI=1S/C17H18N4O2/c1-3-4-10-21(11-13-8-6-5-7-9-13)15-14(12-22)16(23-2)20-17(18)19-15/h1,5-9,12H,4,10-11H2,2H3,(H2,18,19,20)