tert-butyl 4-[(6-chloranyl-4-oxidanylidene-pyrido[3,4-d]pyrimidin-3-yl)methyl]benzoate

Systemtic Name: tert-butyl 4-[(6-chloranyl-4-oxidanylidene-pyrido[3,4-d]pyrimidin-3-yl)methyl]benzoate Openeye Name: tert-butyl 4-[(6-chloro-4-oxo-pyrido[3,4-d]pyrimidin-3-yl)methyl]benzoate CAS Name: 4-[(6-chloro-4-oxo-3-pyrido[3,4-d]pyrimidinyl)methyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(6-chloro-4-oxopyrido[3,4-d]pyrimidin-3-yl)methyl]benzoate Traditional Name: 4-[(6-chloro-4-keto-pyrido[3,4-d]pyrimidin-3-yl)methyl]benzoic acid tert-butyl ester Formula: C19H18ClN3O3 MolecularWeight: 371.81752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=C(C=C1)CN2C=NC3=CN=C(C=C3C2=O)Cl

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=C(C=C1)CN2C=NC3=CN=C(C=C3C2=O)Cl

InChI

InChI=1S/C19H18ClN3O3/c1-19(2,3)26-18(25)13-6-4-12(5-7-13)10-23-11-22-15-9-21-16(20)8-14(15)17(23)24/h4-9,11H,10H2,1-3H3