tert-butyl 7-[(2-chloranyl-5-fluoranyl-pyrimidin-4-yl)amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 7-[(2-chloranyl-5-fluoranyl-pyrimidin-4-yl)amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 7-[(2-chloro-5-fluoro-pyrimidin-4-yl)amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 7-[(2-chloro-5-fluoro-4-pyrimidinyl)amino]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 7-[(2-chloro-5-fluoro-pyrimidin-4-yl)amino]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C18H20ClFN4O2 MolecularWeight: 378.828403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(C1)C=C(C=C2)NC3=NC(=NC=C3F)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(C1)C=C(C=C2)NC3=NC(=NC=C3F)Cl

InChI

InChI=1S/C18H20ClFN4O2/c1-18(2,3)26-17(25)24-7-6-11-4-5-13(8-12(11)10-24)22-15-14(20)9-21-16(19)23-15/h4-5,8-9H,6-7,10H2,1-3H3,(H,21,22,23)