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5-nitro-2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]-1H-pyrimidin-6-one
5-nitro-2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]-1H-pyrimidin-6-one
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Descriptors Computed from Structure
Canonical SMILES:
C1CCN(CC1)CC2=CC(=CC=C2)OCCCNC3=NC=C(C(=O)N3)[N+](=O)[O-]
Isomeric SMILES
C1CCN(CC1)CC2=CC(=CC=C2)OCCCNC3=NC=C(C(=O)N3)[N+](=O)[O-]
InChI
InChI=1S/C19H25N5O4/c25-18-17(24(26)27)13-21-19(22-18)20-8-5-11-28-16-7-4-6-15(12-16)14-23-9-2-1-3-10-23/h4,6-7,12-13H,1-3,5,8-11,14H2,(H2,20,21,22,25)
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