5-[4-(azepan-1-yl)-2-(piperidin-3-ylamino)-4H-pyrimidin-3-yl]pentane-1,2,3-triol

Systemtic Name: 5-[4-(azepan-1-yl)-2-(piperidin-3-ylamino)-4H-pyrimidin-3-yl]pentane-1,2,3-triol Openeye Name: 5-[4-(azepan-1-yl)-2-(3-piperidylamino)-4H-pyrimidin-3-yl]pentane-1,2,3-triol CAS Name: 5-[4-(1-azepanyl)-2-(3-piperidinylamino)-4H-pyrimidin-3-yl]pentane-1,2,3-triol IUPAC Name: 5-[4-(azepan-1-yl)-2-(piperidin-3-ylamino)-4H-pyrimidin-3-yl]pentane-1,2,3-triol Traditional Name: 5-[4-(azepan-1-yl)-2-(3-piperidylamino)-4H-pyrimidin-3-yl]pentane-1,2,3-triol Formula: C20H37N5O3 MolecularWeight: 395.53948

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2C=CN=C(N2CCC(C(CO)O)O)NC3CCCNC3

Isomeric SMILES

C1CCCN(CC1)C2C=CN=C(N2CCC(C(CO)O)O)NC3CCCNC3

InChI

InChI=1S/C20H37N5O3/c26-15-18(28)17(27)8-13-25-19(24-11-3-1-2-4-12-24)7-10-22-20(25)23-16-6-5-9-21-14-16/h7,10,16-19,21,26-28H,1-6,8-9,11-15H2,(H,22,23)