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

Systemtic Name: 4-[(3-chlorophenyl)amino]-N-(3-methylbutyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide Openeye Name: 4-(3-chloroanilino)-N-isopentyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide CAS Name: 4-(3-chloroanilino)-N-(3-methylbutyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide IUPAC Name: 4-(3-chloroanilino)-N-(3-methylbutyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide Traditional Name: 4-(3-chloroanilino)-N-isoamyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide Formula: C18H20ClN5O MolecularWeight: 357.8373

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN5O/c1-11(2)6-7-20-18(25)15-9-14-16(21-10-22-17(14)24-15)23-13-5-3-4-12(19)8-13/h3-5,8-11H,6-7H2,1-2H3,(H,20,25)(H2,21,22,23,24)