1-[3-(4-azanyl-7-propan-2-yl-pyrrolo[2,3-d]pyrimidin-5-yl)carbonylphenyl]-3-(4-tert-butylphenyl)urea

Systemtic Name: 1-[3-(4-azanyl-7-propan-2-yl-pyrrolo[2,3-d]pyrimidin-5-yl)carbonylphenyl]-3-(4-tert-butylphenyl)urea Openeye Name: 1-[3-(4-amino-7-isopropyl-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-3-(4-tert-butylphenyl)urea CAS Name: 1-[3-[(4-amino-7-propan-2-yl-5-pyrrolo[2,3-d]pyrimidinyl)-oxomethyl]phenyl]-3-(4-tert-butylphenyl)urea IUPAC Name: 1-[3-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-3-(4-tert-butylphenyl)urea Traditional Name: 1-[3-(4-amino-7-isopropyl-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-3-(4-tert-butylphenyl)urea Formula: C27H30N6O2 MolecularWeight: 470.5661

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C2=C1N=CN=C2N)C(=O)C3=CC(=CC=C3)NC(=O)NC4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC(C)N1C=C(C2=C1N=CN=C2N)C(=O)C3=CC(=CC=C3)NC(=O)NC4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C27H30N6O2/c1-16(2)33-14-21(22-24(28)29-15-30-25(22)33)23(34)17-7-6-8-20(13-17)32-26(35)31-19-11-9-18(10-12-19)27(3,4)5/h6-16H,1-5H3,(H2,28,29,30)(H2,31,32,35)