1-[2-[3-azanyl-2,4-bis(oxidanyl)-4-pyridin-3-yl-heptoxy]-5-ethyl-phenyl]urea

Systemtic Name: 1-[2-[3-azanyl-2,4-bis(oxidanyl)-4-pyridin-3-yl-heptoxy]-5-ethyl-phenyl]urea Openeye Name: [2-[3-amino-2,4-dihydroxy-4-(3-pyridyl)heptoxy]-5-ethyl-phenyl]urea CAS Name: [2-[3-amino-2,4-dihydroxy-4-(3-pyridinyl)heptoxy]-5-ethylphenyl]urea IUPAC Name: [2-(3-amino-2,4-dihydroxy-4-pyridin-3-ylheptoxy)-5-ethylphenyl]urea Traditional Name: [2-[3-amino-2,4-dihydroxy-4-(3-pyridyl)heptoxy]-5-ethyl-phenyl]urea Formula: C21H30N4O4 MolecularWeight: 402.4873

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CN=CC=C1)(C(C(COC2=C(C=C(C=C2)CC)NC(=O)N)O)N)O

Isomeric SMILES

CCCC(C1=CN=CC=C1)(C(C(COC2=C(C=C(C=C2)CC)NC(=O)N)O)N)O

InChI

InChI=1S/C21H30N4O4/c1-3-9-21(28,15-6-5-10-24-12-15)19(22)17(26)13-29-18-8-7-14(4-2)11-16(18)25-20(23)27/h5-8,10-12,17,19,26,28H,3-4,9,13,22H2,1-2H3,(H3,23,25,27)