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

Systemtic Name: N-butyl-4-[(3-chlorophenyl)amino]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-butyl-4-(3-chloroanilino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide CAS Name: N-butyl-4-(3-chloroanilino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide IUPAC Name: N-butyl-4-(3-chloroanilino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-butyl-4-(3-chloroanilino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide Formula: C17H18ClN5O MolecularWeight: 343.81072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC2=C(N1)N=CN=C2NC3=CC(=CC=C3)Cl

Isomeric SMILES

CCCCNC(=O)C1=CC2=C(N1)N=CN=C2NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C17H18ClN5O/c1-2-3-7-19-17(24)14-9-13-15(20-10-21-16(13)23-14)22-12-6-4-5-11(18)8-12/h4-6,8-10H,2-3,7H2,1H3,(H,19,24)(H2,20,21,22,23)