2-iodanyl-4-(4-phenethylpiperazin-1-yl)-6,7,8,9-tetrahydropyrimido[4,5-b]indolizine-10-carbonitrile

Systemtic Name: 2-iodanyl-4-(4-phenethylpiperazin-1-yl)-6,7,8,9-tetrahydropyrimido[4,5-b]indolizine-10-carbonitrile Openeye Name: 2-iodo-4-(4-phenethylpiperazin-1-yl)-6,7,8,9-tetrahydropyrimido[4,5-b]indolizine-10-carbonitrile CAS Name: 2-iodo-4-(4-phenethyl-1-piperazinyl)-6,7,8,9-tetrahydropyrimido[4,5-b]indolizine-10-carbonitrile IUPAC Name: 2-iodo-4-(4-phenethylpiperazin-1-yl)-6,7,8,9-tetrahydropyrimido[4,5-b]indolizine-10-carbonitrile Traditional Name: 2-iodo-4-(4-phenethylpiperazino)-6,7,8,9-tetrahydropyrimid[4,5-b]indolizine-10-carbonitrile Formula: C23H25IN6 MolecularWeight: 512.38927

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN2C(=C(C3=C2C(=NC(=N3)I)N4CCN(CC4)CCC5=CC=CC=C5)C#N)C1

Isomeric SMILES

C1CCN2C(=C(C3=C2C(=NC(=N3)I)N4CCN(CC4)CCC5=CC=CC=C5)C#N)C1

InChI

InChI=1S/C23H25IN6/c24-23-26-20-18(16-25)19-8-4-5-10-30(19)21(20)22(27-23)29-14-12-28(13-15-29)11-9-17-6-2-1-3-7-17/h1-3,6-7H,4-5,8-15H2