1-(2-dimethylaminoethyl)-3-[3-[2-(2-fluoranyl-4-methoxy-phenyl)ethyl]-4-oxidanylidene-quinazolin-7-yl]-1-(phenylmethyl)-2-(4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)guanidine

Systemtic Name: 1-(2-dimethylaminoethyl)-3-[3-[2-(2-fluoranyl-4-methoxy-phenyl)ethyl]-4-oxidanylidene-quinazolin-7-yl]-1-(phenylmethyl)-2-(4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)guanidine Openeye Name: 1-benzyl-1-(2-dimethylaminoethyl)-3-[3-[2-(2-fluoro-4-methoxy-phenyl)ethyl]-4-oxo-quinazolin-7-yl]-2-(2,6,6-trimethylnorpinan-3-yl)guanidine CAS Name: 1-(2-dimethylaminoethyl)-3-[3-[2-(2-fluoro-4-methoxyphenyl)ethyl]-4-oxo-7-quinazolinyl]-1-(phenylmethyl)-2-(4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)guanidine IUPAC Name: 1-benzyl-1-(2-dimethylaminoethyl)-3-[3-[2-(2-fluoro-4-methoxyphenyl)ethyl]-4-oxoquinazolin-7-yl]-2-(4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)guanidine Traditional Name: 1-benzyl-1-(2-dimethylaminoethyl)-3-[3-[2-(2-fluoro-4-methoxy-phenyl)ethyl]-4-keto-quinazolin-7-yl]-2-(2,6,6-trimethylnorpinan-3-yl)guanidine Formula: C39H49FN6O2 MolecularWeight: 652.843763

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2CC(C2(C)C)CC1N=C(NC3=CC4=C(C=C3)C(=O)N(C=N4)CCC5=C(C=C(C=C5)OC)F)N(CCN(C)C)CC6=CC=CC=C6

Isomeric SMILES

CC1C2CC(C2(C)C)CC1N=C(NC3=CC4=C(C=C3)C(=O)N(C=N4)CCC5=C(C=C(C=C5)OC)F)N(CCN(C)C)CC6=CC=CC=C6

InChI

InChI=1S/C39H49FN6O2/c1-26-33-20-29(39(33,2)3)21-35(26)43-38(45(19-18-44(4)5)24-27-10-8-7-9-11-27)42-30-13-15-32-36(22-30)41-25-46(37(32)47)17-16-28-12-14-31(48-6)23-34(28)40/h7-15,22-23,25-26,29,33,35H,16-21,24H2,1-6H3,(H,42,43)