4-chloranyl-3-[4-[(4-methoxyphenyl)methylamino]pyrimidin-2-yl]-5-methyl-pyrazole-4-carbaldehyde

Systemtic Name: 4-chloranyl-3-[4-[(4-methoxyphenyl)methylamino]pyrimidin-2-yl]-5-methyl-pyrazole-4-carbaldehyde Openeye Name: 4-chloro-3-[4-[(4-methoxyphenyl)methylamino]pyrimidin-2-yl]-5-methyl-pyrazole-4-carbaldehyde CAS Name: 4-chloro-3-[4-[(4-methoxyphenyl)methylamino]-2-pyrimidinyl]-5-methyl-4-pyrazolecarboxaldehyde IUPAC Name: 4-chloro-3-[4-[(4-methoxyphenyl)methylamino]pyrimidin-2-yl]-5-methylpyrazole-4-carbaldehyde Traditional Name: 4-chloro-3-methyl-5-[4-(p-anisylamino)pyrimidin-2-yl]pyrazole-4-carbaldehyde Formula: C17H16ClN5O2 MolecularWeight: 357.79424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(C1(C=O)Cl)C2=NC=CC(=N2)NCC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=NN=C(C1(C=O)Cl)C2=NC=CC(=N2)NCC3=CC=C(C=C3)OC

InChI

InChI=1S/C17H16ClN5O2/c1-11-17(18,10-24)15(23-22-11)16-19-8-7-14(21-16)20-9-12-3-5-13(25-2)6-4-12/h3-8,10H,9H2,1-2H3,(H,19,20,21)