tert-butyl N-[3-[4-[(3-methyl-4-pyridin-3-yloxy-phenyl)amino]pyrido[3,4-d]pyrimidin-6-yl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate

Systemtic Name: tert-butyl N-[3-[4-[(3-methyl-4-pyridin-3-yloxy-phenyl)amino]pyrido[3,4-d]pyrimidin-6-yl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate Openeye Name: tert-butyl N-[3-[4-[3-methyl-4-(3-pyridyloxy)anilino]pyrido[3,4-d]pyrimidin-6-yl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate CAS Name: N-[3-[4-[3-methyl-4-(3-pyridinyloxy)anilino]-6-pyrido[3,4-d]pyrimidinyl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[4-(3-methyl-4-pyridin-3-yloxyanilino)pyrido[3,4-d]pyrimidin-6-yl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate Traditional Name: N-[3-[4-[3-methyl-4-(3-pyridyloxy)anilino]pyrido[3,4-d]pyrimidin-6-yl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamic acid tert-butyl ester Formula: C29H31N7O3 MolecularWeight: 525.60154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC=NC3=CN=C(C=C32)N4CC5C(C4)C5NC(=O)OC(C)(C)C)OC6=CN=CC=C6

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=NC3=CN=C(C=C32)N4CC5C(C4)C5NC(=O)OC(C)(C)C)OC6=CN=CC=C6

InChI

InChI=1S/C29H31N7O3/c1-17-10-18(7-8-24(17)38-19-6-5-9-30-12-19)34-27-20-11-25(31-13-23(20)32-16-33-27)36-14-21-22(15-36)26(21)35-28(37)39-29(2,3)4/h5-13,16,21-22,26H,14-15H2,1-4H3,(H,35,37)(H,32,33,34)