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

Systemtic Name: 1-[3-(4-azanyl-7-propan-2-yl-pyrrolo[2,3-d]pyrimidin-5-yl)carbonylphenyl]-3-(4-ethanoylphenyl)urea Openeye Name: 1-(4-acetylphenyl)-3-[3-(4-amino-7-isopropyl-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]urea CAS Name: 1-(4-acetylphenyl)-3-[3-[(4-amino-7-propan-2-yl-5-pyrrolo[2,3-d]pyrimidinyl)-oxomethyl]phenyl]urea IUPAC Name: 1-(4-acetylphenyl)-3-[3-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]urea Traditional Name: 1-(4-acetylphenyl)-3-[3-(4-amino-7-isopropyl-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]urea Formula: C25H24N6O3 MolecularWeight: 456.49646

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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(=O)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(=O)C

InChI

InChI=1S/C25H24N6O3/c1-14(2)31-12-20(21-23(26)27-13-28-24(21)31)22(33)17-5-4-6-19(11-17)30-25(34)29-18-9-7-16(8-10-18)15(3)32/h4-14H,1-3H3,(H2,26,27,28)(H2,29,30,34)