butyl N-[5-[[3-[3,5-bis[5-[[3-(butoxycarbonylamino)-4-methyl-phenyl]iminomethylideneamino]-2-methyl-phenyl]-2,4,6-tris(oxidanylidene)-1,3,5-triazinan-1-yl]-4-methyl-phenyl]iminomethylideneamino]-2-methyl-phenyl]carbamate

Systemtic Name: butyl N-[5-[[3-[3,5-bis[5-[[3-(butoxycarbonylamino)-4-methyl-phenyl]iminomethylideneamino]-2-methyl-phenyl]-2,4,6-tris(oxidanylidene)-1,3,5-triazinan-1-yl]-4-methyl-phenyl]iminomethylideneamino]-2-methyl-phenyl]carbamate Openeye Name: butyl N-[5-[[3-[3,5-bis[5-[[3-(butoxycarbonylamino)-4-methyl-phenyl]iminomethyleneamino]-2-methyl-phenyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]-4-methyl-phenyl]iminomethyleneamino]-2-methyl-phenyl]carbamate CAS Name: N-[5-[[3-[3,5-bis[5-[[3-[[butoxy(oxo)methyl]amino]-4-methylphenyl]iminomethylideneamino]-2-methylphenyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]-4-methylphenyl]iminomethylideneamino]-2-methylphenyl]carbamic acid butyl ester IUPAC Name: butyl N-[5-[[3-[3,5-bis[5-[[3-(butoxycarbonylamino)-4-methylphenyl]iminomethylideneamino]-2-methylphenyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]-4-methylphenyl]iminomethylideneamino]-2-methylphenyl]carbamate Traditional Name: N-[5-[[3-[3,5-bis[5-[[3-(butoxycarbonylamino)-4-methyl-phenyl]iminomethyleneamino]-2-methyl-phenyl]-2,4,6-triketo-1,3,5-triazinan-1-yl]-4-methyl-phenyl]iminomethyleneamino]-2-methyl-phenyl]carbamic acid butyl ester Formula: C63H66N12O9 MolecularWeight: 1135.27314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)NC1=C(C=CC(=C1)N=C=NC2=CC(=C(C=C2)C)N3C(=O)N(C(=O)N(C3=O)C4=C(C=CC(=C4)N=C=NC5=CC(=C(C=C5)C)NC(=O)OCCCC)C)C6=C(C=CC(=C6)N=C=NC7=CC(=C(C=C7)C)NC(=O)OCCCC)C)C

Isomeric SMILES

CCCCOC(=O)NC1=C(C=CC(=C1)N=C=NC2=CC(=C(C=C2)C)N3C(=O)N(C(=O)N(C3=O)C4=C(C=CC(=C4)N=C=NC5=CC(=C(C=C5)C)NC(=O)OCCCC)C)C6=C(C=CC(=C6)N=C=NC7=CC(=C(C=C7)C)NC(=O)OCCCC)C)C

InChI

InChI=1S/C63H66N12O9/c1-10-13-28-82-58(76)70-52-31-46(22-16-40(52)4)64-37-67-49-25-19-43(7)55(34-49)73-61(79)74(56-35-50(26-20-44(56)8)68-38-65-47-23-17-41(5)53(32-47)71-59(77)83-29-14-11-2)63(81)75(62(73)80)57-36-51(27-21-45(57)9)69-39-66-48-24-18-42(6)54(33-48)72-60(78)84-30-15-12-3/h16-27,31-36H,10-15,28-30H2,1-9H3,(H,70,76)(H,71,77)(H,72,78)