1,3-bis(5-azanyl-2,7-ditert-butyl-9,9-dimethyl-xanthen-4-yl)urea

Systemtic Name: 1,3-bis(5-azanyl-2,7-ditert-butyl-9,9-dimethyl-xanthen-4-yl)urea Openeye Name: 1,3-bis(5-amino-2,7-ditert-butyl-9,9-dimethyl-xanthen-4-yl)urea CAS Name: 1,3-bis(5-amino-2,7-ditert-butyl-9,9-dimethyl-4-xanthenyl)urea IUPAC Name: 1,3-bis(5-amino-2,7-ditert-butyl-9,9-dimethylxanthen-4-yl)urea Traditional Name: 1,3-bis(5-amino-2,7-ditert-butyl-9,9-dimethyl-xanthen-4-yl)urea Formula: C47H62N4O3 MolecularWeight: 731.02018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC(=CC(=C2OC3=C(C=C(C=C31)C(C)(C)C)NC(=O)NC4=C5C(=CC(=C4)C(C)(C)C)C(C6=CC(=CC(=C6O5)N)C(C)(C)C)(C)C)N)C(C)(C)C)C

Isomeric SMILES

CC1(C2=CC(=CC(=C2OC3=C(C=C(C=C31)C(C)(C)C)NC(=O)NC4=C5C(=CC(=C4)C(C)(C)C)C(C6=CC(=CC(=C6O5)N)C(C)(C)C)(C)C)N)C(C)(C)C)C

InChI

InChI=1S/C47H62N4O3/c1-42(2,3)25-17-29-37(33(48)21-25)53-39-31(46(29,13)14)19-27(44(7,8)9)23-35(39)50-41(52)51-36-24-28(45(10,11)12)20-32-40(36)54-38-30(47(32,15)16)18-26(22-34(38)49)43(4,5)6/h17-24H,48-49H2,1-16H3,(H2,50,51,52)