methyl 3-[2-[(4,6-dimethylpyrimidin-2-yl)amino]ethanoyl]azulene-1-carboxylate

Systemtic Name: methyl 3-[2-[(4,6-dimethylpyrimidin-2-yl)amino]ethanoyl]azulene-1-carboxylate Openeye Name: methyl 3-[2-[(4,6-dimethylpyrimidin-2-yl)amino]acetyl]azulene-1-carboxylate CAS Name: 3-[2-[(4,6-dimethyl-2-pyrimidinyl)amino]-1-oxoethyl]-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 3-[2-[(4,6-dimethylpyrimidin-2-yl)amino]acetyl]azulene-1-carboxylate Traditional Name: 3-[2-[(4,6-dimethylpyrimidin-2-yl)amino]acetyl]azulene-1-carboxylic acid methyl ester Formula: C20H19N3O3 MolecularWeight: 349.38316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NCC(=O)C2=CC(=C3C2=CC=CC=C3)C(=O)OC)C

Isomeric SMILES

CC1=CC(=NC(=N1)NCC(=O)C2=CC(=C3C2=CC=CC=C3)C(=O)OC)C

InChI

InChI=1S/C20H19N3O3/c1-12-9-13(2)23-20(22-12)21-11-18(24)16-10-17(19(25)26-3)15-8-6-4-5-7-14(15)16/h4-10H,11H2,1-3H3,(H,21,22,23)