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

Systemtic Name: 4-[4-(2-ethoxyphenyl)piperazin-1-yl]-2,6-bis(2-hydroxyethylamino)pyrimidine-5-carbonitrile Openeye Name: 4-[4-(2-ethoxyphenyl)piperazin-1-yl]-2,6-bis(2-hydroxyethylamino)pyrimidine-5-carbonitrile CAS Name: 4-[4-(2-ethoxyphenyl)-1-piperazinyl]-2,6-bis(2-hydroxyethylamino)-5-pyrimidinecarbonitrile IUPAC Name: 4-[4-(2-ethoxyphenyl)piperazin-1-yl]-2,6-bis(2-hydroxyethylamino)pyrimidine-5-carbonitrile Traditional Name: 2,4-bis(2-hydroxyethylamino)-6-(4-o-phenetylpiperazino)pyrimidine-5-carbonitrile Formula: C21H29N7O3 MolecularWeight: 427.50006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C3=C(C(=NC(=N3)NCCO)NCCO)C#N

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C3=C(C(=NC(=N3)NCCO)NCCO)C#N

InChI

InChI=1S/C21H29N7O3/c1-2-31-18-6-4-3-5-17(18)27-9-11-28(12-10-27)20-16(15-22)19(23-7-13-29)25-21(26-20)24-8-14-30/h3-6,29-30H,2,7-14H2,1H3,(H2,23,24,25,26)