methyl 4-[[3-(4-azanyl-7-propan-2-yl-pyrrolo[2,3-d]pyrimidin-5-yl)carbonylphenyl]carbamoylamino]benzoate

Systemtic Name: methyl 4-[[3-(4-azanyl-7-propan-2-yl-pyrrolo[2,3-d]pyrimidin-5-yl)carbonylphenyl]carbamoylamino]benzoate Openeye Name: methyl 4-[[3-(4-amino-7-isopropyl-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]carbamoylamino]benzoate CAS Name: 4-[[[3-[(4-amino-7-propan-2-yl-5-pyrrolo[2,3-d]pyrimidinyl)-oxomethyl]anilino]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]carbamoylamino]benzoate Traditional Name: 4-[[3-(4-amino-7-isopropyl-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]carbamoylamino]benzoic acid methyl ester Formula: C25H24N6O4 MolecularWeight: 472.49586

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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)OC

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)OC

InChI

InChI=1S/C25H24N6O4/c1-14(2)31-12-19(20-22(26)27-13-28-23(20)31)21(32)16-5-4-6-18(11-16)30-25(34)29-17-9-7-15(8-10-17)24(33)35-3/h4-14H,1-3H3,(H2,26,27,28)(H2,29,30,34)