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

Systemtic Name: 4-[(3-chlorophenyl)amino]-7H-pyrrolo[2,3-d]pyrimidine-6-carbothioamide Openeye Name: 4-(3-chloroanilino)-7H-pyrrolo[2,3-d]pyrimidine-6-carbothioamide CAS Name: 4-(3-chloroanilino)-7H-pyrrolo[2,3-d]pyrimidine-6-carbothioamide IUPAC Name: 4-(3-chloroanilino)-7H-pyrrolo[2,3-d]pyrimidine-6-carbothioamide Traditional Name: 4-(3-chloroanilino)-7H-pyrrolo[2,3-d]pyrimidine-6-carbothioamide Formula: C13H10ClN5S MolecularWeight: 303.77

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)NC2=NC=NC3=C2C=C(N3)C(=S)N

Isomeric SMILES

C1=CC(=CC(=C1)Cl)NC2=NC=NC3=C2C=C(N3)C(=S)N

InChI

InChI=1S/C13H10ClN5S/c14-7-2-1-3-8(4-7)18-12-9-5-10(11(15)20)19-13(9)17-6-16-12/h1-6H,(H2,15,20)(H2,16,17,18,19)