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

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-3-methyl-2-nitro-N-propyl-benzamide Openeye Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-3-methyl-2-nitro-N-propyl-benzamide CAS Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-3-methyl-2-nitro-N-propylbenzamide IUPAC Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-methyl-2-nitro-N-propylbenzamide Traditional Name: N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-3-methyl-2-nitro-N-propyl-benzamide Formula: C22H23N5O5 MolecularWeight: 437.44852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=C(C(=CC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=C(C(=CC=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O5/c1-3-12-25(21(29)16-11-7-8-14(2)17(16)27(31)32)18-19(23)26(22(30)24-20(18)28)13-15-9-5-4-6-10-15/h4-11H,3,12-13,23H2,1-2H3,(H,24,28,30)