9-chloranyl-4-[4-(phenylmethyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole

Systemtic Name: 9-chloranyl-4-[4-(phenylmethyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole Openeye Name: 4-(4-benzylpiperazin-1-yl)-9-chloro-5H-pyrimido[5,4-b]indole CAS Name: 9-chloro-4-[4-(phenylmethyl)-1-piperazinyl]-5H-pyrimido[5,4-b]indole IUPAC Name: 4-(4-benzylpiperazin-1-yl)-9-chloro-5H-pyrimido[5,4-b]indole Traditional Name: 4-(4-benzylpiperazino)-9-chloro-5H-pyrimid[5,4-b]indole Formula: C21H20ClN5 MolecularWeight: 377.87

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=NC=NC4=C3NC5=C4C(=CC=C5)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=NC=NC4=C3NC5=C4C(=CC=C5)Cl

InChI

InChI=1S/C21H20ClN5/c22-16-7-4-8-17-18(16)19-20(25-17)21(24-14-23-19)27-11-9-26(10-12-27)13-15-5-2-1-3-6-15/h1-8,14,25H,9-13H2