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

Systemtic Name: 5-[4-(azepan-1-yl)-2-(piperidin-3-ylamino)-4H-pyrimidin-3-yl]pentane-1,2,3,4-tetrol Openeye Name: 5-[4-(azepan-1-yl)-2-(3-piperidylamino)-4H-pyrimidin-3-yl]pentane-1,2,3,4-tetrol CAS Name: 5-[4-(1-azepanyl)-2-(3-piperidinylamino)-4H-pyrimidin-3-yl]pentane-1,2,3,4-tetrol IUPAC Name: 5-[4-(azepan-1-yl)-2-(piperidin-3-ylamino)-4H-pyrimidin-3-yl]pentane-1,2,3,4-tetrol Traditional Name: 5-[4-(azepan-1-yl)-2-(3-piperidylamino)-4H-pyrimidin-3-yl]pentane-1,2,3,4-tetrol Formula: C20H37N5O4 MolecularWeight: 411.53888

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2C=CN=C(N2CC(C(C(CO)O)O)O)NC3CCCNC3

Isomeric SMILES

C1CCCN(CC1)C2C=CN=C(N2CC(C(C(CO)O)O)O)NC3CCCNC3

InChI

InChI=1S/C20H37N5O4/c26-14-17(28)19(29)16(27)13-25-18(24-10-3-1-2-4-11-24)7-9-22-20(25)23-15-6-5-8-21-12-15/h7,9,15-19,21,26-29H,1-6,8,10-14H2,(H,22,23)