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

Systemtic Name: 6-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]-6-pyrrolidin-1-yl-hexane-1,2,3,4-tetrol Openeye Name: 6-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]-6-pyrrolidin-1-yl-hexane-1,2,3,4-tetrol CAS Name: 6-[[4-(1-azepanyl)-2-pyrimidinyl]amino]-6-(1-pyrrolidinyl)hexane-1,2,3,4-tetrol IUPAC Name: 6-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]-6-pyrrolidin-1-ylhexane-1,2,3,4-tetrol Traditional Name: 6-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]-6-pyrrolidino-hexane-1,2,3,4-tetrol Formula: C20H35N5O4 MolecularWeight: 409.523

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=NC=C2)NC(CC(C(C(CO)O)O)O)N3CCCC3

Isomeric SMILES

C1CCCN(CC1)C2=NC(=NC=C2)NC(CC(C(C(CO)O)O)O)N3CCCC3

InChI

InChI=1S/C20H35N5O4/c26-14-16(28)19(29)15(27)13-18(25-11-5-6-12-25)23-20-21-8-7-17(22-20)24-9-3-1-2-4-10-24/h7-8,15-16,18-19,26-29H,1-6,9-14H2,(H,21,22,23)