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

Systemtic Name: 1-[3-(4-azanyl-7-propan-2-yl-pyrrolo[2,3-d]pyrimidin-5-yl)carbonylphenyl]-3-(2-methylsulfanylphenyl)urea Openeye Name: 1-[3-(4-amino-7-isopropyl-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-3-(2-methylsulfanylphenyl)urea CAS Name: 1-[3-[(4-amino-7-propan-2-yl-5-pyrrolo[2,3-d]pyrimidinyl)-oxomethyl]phenyl]-3-[2-(methylthio)phenyl]urea IUPAC Name: 1-[3-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-3-(2-methylsulfanylphenyl)urea Traditional Name: 1-[3-(4-amino-7-isopropyl-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-3-[2-(methylthio)phenyl]urea Formula: C24H24N6O2S MolecularWeight: 460.55136

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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=CC=C4SC

Isomeric SMILES

CC(C)N1C=C(C2=C1N=CN=C2N)C(=O)C3=CC(=CC=C3)NC(=O)NC4=CC=CC=C4SC

InChI

InChI=1S/C24H24N6O2S/c1-14(2)30-12-17(20-22(25)26-13-27-23(20)30)21(31)15-7-6-8-16(11-15)28-24(32)29-18-9-4-5-10-19(18)33-3/h4-14H,1-3H3,(H2,25,26,27)(H2,28,29,32)