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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-methyl-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-methyl-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-methyl-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-methyl-3-nitro-4-pyrrolidino-benzamide Formula: C20H26N6O5 MolecularWeight: 430.45764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N6O5/c1-3-4-11-25-17(21)16(18(27)22-20(25)29)23(2)19(28)13-7-8-14(15(12-13)26(30)31)24-9-5-6-10-24/h7-8,12H,3-6,9-11,21H2,1-2H3,(H,22,27,29)