6-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]-6-piperidin-1-yl-hexane-1,2,3,4-tetrol

Systemtic Name: 6-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]-6-piperidin-1-yl-hexane-1,2,3,4-tetrol Openeye Name: 6-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]-6-(1-piperidyl)hexane-1,2,3,4-tetrol CAS Name: 6-[[4-(1-azepanyl)-2-pyrimidinyl]amino]-6-(1-piperidinyl)hexane-1,2,3,4-tetrol IUPAC Name: 6-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]-6-piperidin-1-ylhexane-1,2,3,4-tetrol Traditional Name: 6-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]-6-piperidino-hexane-1,2,3,4-tetrol Formula: C21H37N5O4 MolecularWeight: 423.54958

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=NC=C2)NC(CC(C(C(CO)O)O)O)N3CCCCC3

Isomeric SMILES

C1CCCN(CC1)C2=NC(=NC=C2)NC(CC(C(C(CO)O)O)O)N3CCCCC3

InChI

InChI=1S/C21H37N5O4/c27-15-17(29)20(30)16(28)14-19(26-12-6-3-7-13-26)24-21-22-9-8-18(23-21)25-10-4-1-2-5-11-25/h8-9,16-17,19-20,27-30H,1-7,10-15H2,(H,22,23,24)