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

Systemtic Name: 2,4-bis(2-hydroxyethylamino)-6-[4-(2-hydroxyphenyl)piperazin-1-yl]pyrimidine-5-carbonitrile Openeye Name: 2,4-bis(2-hydroxyethylamino)-6-[4-(2-hydroxyphenyl)piperazin-1-yl]pyrimidine-5-carbonitrile CAS Name: 2,4-bis(2-hydroxyethylamino)-6-[4-(2-hydroxyphenyl)-1-piperazinyl]-5-pyrimidinecarbonitrile IUPAC Name: 2,4-bis(2-hydroxyethylamino)-6-[4-(2-hydroxyphenyl)piperazin-1-yl]pyrimidine-5-carbonitrile Traditional Name: 2,4-bis(2-hydroxyethylamino)-6-[4-(2-hydroxyphenyl)piperazino]pyrimidine-5-carbonitrile Formula: C19H25N7O3 MolecularWeight: 399.4469

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2O)C3=C(C(=NC(=N3)NCCO)NCCO)C#N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2O)C3=C(C(=NC(=N3)NCCO)NCCO)C#N

InChI

InChI=1S/C19H25N7O3/c20-13-14-17(21-5-11-27)23-19(22-6-12-28)24-18(14)26-9-7-25(8-10-26)15-3-1-2-4-16(15)29/h1-4,27-29H,5-12H2,(H2,21,22,23,24)