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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-4-(cyclopropylamino)-N-(2-methoxyethyl)-3-nitro-benzamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-4-(cyclopropylamino)-N-(2-methoxyethyl)-3-nitro-benzamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-4-(cyclopropylamino)-N-(2-methoxyethyl)-3-nitrobenzamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(cyclopropylamino)-N-(2-methoxyethyl)-3-nitrobenzamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-4-(cyclopropylamino)-N-(2-methoxyethyl)-3-nitro-benzamide Formula: C21H28N6O6 MolecularWeight: 460.48362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-])N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CCOC)C(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-])N

InChI

InChI=1S/C21H28N6O6/c1-3-4-9-26-18(22)17(19(28)24-21(26)30)25(10-11-33-2)20(29)13-5-8-15(23-14-6-7-14)16(12-13)27(31)32/h5,8,12,14,23H,3-4,6-7,9-11,22H2,1-2H3,(H,24,28,30)