[4-(5-chloranyl-3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrrol-2-yl]-piperazin-1-yl-methanone

Systemtic Name: [4-(5-chloranyl-3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrrol-2-yl]-piperazin-1-yl-methanone Openeye Name: [4-(5-chloro-3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrrol-2-yl]-piperazin-1-yl-methanone CAS Name: [4-[5-chloro-3-(5-pyrimidinyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrrol-2-yl]-(1-piperazinyl)methanone IUPAC Name: [4-(5-chloro-3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrrol-2-yl]-piperazin-1-ylmethanone Traditional Name: [4-[5-chloro-3-(5-pyrimidyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrrol-2-yl]-piperazino-methanone Formula: C20H18ClN7O MolecularWeight: 407.85622

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)C2=CC(=CN2)C3=C(C4=CC(=CN=C4N3)Cl)C5=CN=CN=C5

Isomeric SMILES

C1CN(CCN1)C(=O)C2=CC(=CN2)C3=C(C4=CC(=CN=C4N3)Cl)C5=CN=CN=C5

InChI

InChI=1S/C20H18ClN7O/c21-14-6-15-17(13-7-23-11-24-8-13)18(27-19(15)26-10-14)12-5-16(25-9-12)20(29)28-3-1-22-2-4-28/h5-11,22,25H,1-4H2,(H,26,27)