N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-3-nitro-N-pentyl-benzamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-3-nitro-N-pentyl-benzamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-3-nitro-N-pentyl-benzamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-3-nitro-N-pentylbenzamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-nitro-N-pentylbenzamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-amyl-3-nitro-benzamide Formula: C20H27N5O5 MolecularWeight: 417.45888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H27N5O5/c1-3-5-7-12-23(19(27)14-9-8-10-15(13-14)25(29)30)16-17(21)24(11-6-4-2)20(28)22-18(16)26/h8-10,13H,3-7,11-12,21H2,1-2H3,(H,22,26,28)