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

Systemtic Name: 2-azanyl-4-[but-3-ynyl-(phenylmethyl)amino]-6-chloranyl-pyrimidine-5-carbaldehyde Openeye Name: 2-amino-4-[benzyl(but-3-ynyl)amino]-6-chloro-pyrimidine-5-carbaldehyde CAS Name: 2-amino-4-[but-3-ynyl-(phenylmethyl)amino]-6-chloro-5-pyrimidinecarboxaldehyde IUPAC Name: 2-amino-4-[benzyl(but-3-ynyl)amino]-6-chloropyrimidine-5-carbaldehyde Traditional Name: 2-amino-4-[benzyl(but-3-ynyl)amino]-6-chloro-pyrimidine-5-carbaldehyde Formula: C16H15ClN4O MolecularWeight: 314.7695

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Descriptors Computed from Structure

Canonical SMILES:

C#CCCN(CC1=CC=CC=C1)C2=C(C(=NC(=N2)N)Cl)C=O

Isomeric SMILES

C#CCCN(CC1=CC=CC=C1)C2=C(C(=NC(=N2)N)Cl)C=O

InChI

InChI=1S/C16H15ClN4O/c1-2-3-9-21(10-12-7-5-4-6-8-12)15-13(11-22)14(17)19-16(18)20-15/h1,4-8,11H,3,9-10H2,(H2,18,19,20)