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

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

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

Isomeric SMILES

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

InChI

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