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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-butyl-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-butyl-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-butyl-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-butyl-3-nitro-4-pyrrolidino-benzamide Formula: C23H32N6O5 MolecularWeight: 472.53738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CCCC)C(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CCCC)C(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])N

InChI

InChI=1S/C23H32N6O5/c1-3-5-13-27(19-20(24)28(14-6-4-2)23(32)25-21(19)30)22(31)16-9-10-17(18(15-16)29(33)34)26-11-7-8-12-26/h9-10,15H,3-8,11-14,24H2,1-2H3,(H,25,30,32)