4-[(3-chlorophenyl)amino]-N-(phenylmethyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 4-[(3-chlorophenyl)amino]-N-(phenylmethyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-benzyl-4-(3-chloroanilino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide CAS Name: 4-(3-chloroanilino)-N-(phenylmethyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide IUPAC Name: N-benzyl-4-(3-chloroanilino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-benzyl-4-(3-chloroanilino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide Formula: C20H16ClN5O MolecularWeight: 377.82694

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2=CC3=C(N2)N=CN=C3NC4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=CC3=C(N2)N=CN=C3NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C20H16ClN5O/c21-14-7-4-8-15(9-14)25-18-16-10-17(26-19(16)24-12-23-18)20(27)22-11-13-5-2-1-3-6-13/h1-10,12H,11H2,(H,22,27)(H2,23,24,25,26)