4-[4-(2-cyanophenyl)piperazin-1-yl]-2,6-bis(2-hydroxyethylamino)pyrimidine-5-carbonitrile

Systemtic Name: 4-[4-(2-cyanophenyl)piperazin-1-yl]-2,6-bis(2-hydroxyethylamino)pyrimidine-5-carbonitrile Openeye Name: 4-[4-(2-cyanophenyl)piperazin-1-yl]-2,6-bis(2-hydroxyethylamino)pyrimidine-5-carbonitrile CAS Name: 4-[4-(2-cyanophenyl)-1-piperazinyl]-2,6-bis(2-hydroxyethylamino)-5-pyrimidinecarbonitrile IUPAC Name: 4-[4-(2-cyanophenyl)piperazin-1-yl]-2,6-bis(2-hydroxyethylamino)pyrimidine-5-carbonitrile Traditional Name: 4-[4-(2-cyanophenyl)piperazino]-2,6-bis(2-hydroxyethylamino)pyrimidine-5-carbonitrile Formula: C20H24N8O2 MolecularWeight: 408.45696

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2C#N)C3=C(C(=NC(=N3)NCCO)NCCO)C#N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2C#N)C3=C(C(=NC(=N3)NCCO)NCCO)C#N

InChI

InChI=1S/C20H24N8O2/c21-13-15-3-1-2-4-17(15)27-7-9-28(10-8-27)19-16(14-22)18(23-5-11-29)25-20(26-19)24-6-12-30/h1-4,29-30H,5-12H2,(H2,23,24,25,26)