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

Systemtic Name: 2,4-bis(2-hydroxyethylamino)-6-[4-(2-methoxyphenyl)piperidin-1-yl]pyrimidine-5-carbonitrile Openeye Name: 2,4-bis(2-hydroxyethylamino)-6-[4-(2-methoxyphenyl)-1-piperidyl]pyrimidine-5-carbonitrile CAS Name: 2,4-bis(2-hydroxyethylamino)-6-[4-(2-methoxyphenyl)-1-piperidinyl]-5-pyrimidinecarbonitrile IUPAC Name: 2,4-bis(2-hydroxyethylamino)-6-[4-(2-methoxyphenyl)piperidin-1-yl]pyrimidine-5-carbonitrile Traditional Name: 2,4-bis(2-hydroxyethylamino)-6-[4-(2-methoxyphenyl)piperidino]pyrimidine-5-carbonitrile Formula: C21H28N6O3 MolecularWeight: 412.48542

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2CCN(CC2)C3=C(C(=NC(=N3)NCCO)NCCO)C#N

Isomeric SMILES

COC1=CC=CC=C1C2CCN(CC2)C3=C(C(=NC(=N3)NCCO)NCCO)C#N

InChI

InChI=1S/C21H28N6O3/c1-30-18-5-3-2-4-16(18)15-6-10-27(11-7-15)20-17(14-22)19(23-8-12-28)25-21(26-20)24-9-13-29/h2-5,15,28-29H,6-13H2,1H3,(H2,23,24,25,26)