1-[4-[(2-azanyl-7H-purin-6-yl)amino]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea

Systemtic Name: 1-[4-[(2-azanyl-7H-purin-6-yl)amino]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea Openeye Name: 1-[4-[(2-amino-7H-purin-6-yl)amino]phenyl]-3-(5-tert-butylisoxazol-3-yl)urea CAS Name: 1-[4-[(2-amino-7H-purin-6-yl)amino]phenyl]-3-(5-tert-butyl-3-isoxazolyl)urea IUPAC Name: 1-[4-[(2-amino-7H-purin-6-yl)amino]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea Traditional Name: 1-[4-[(2-amino-7H-purin-6-yl)amino]phenyl]-3-(5-tert-butylisoxazol-3-yl)urea Formula: C19H21N9O2 MolecularWeight: 407.42914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)NC3=NC(=NC4=C3NC=N4)N

Isomeric SMILES

CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)NC3=NC(=NC4=C3NC=N4)N

InChI

InChI=1S/C19H21N9O2/c1-19(2,3)12-8-13(28-30-12)25-18(29)24-11-6-4-10(5-7-11)23-16-14-15(22-9-21-14)26-17(20)27-16/h4-9H,1-3H3,(H2,24,25,28,29)(H4,20,21,22,23,26,27)