N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-2-(4-nitrophenyl)-N-propyl-ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O5/c1-2-12-25(18(28)13-15-8-10-17(11-9-15)27(31)32)19-20(23)26(22(30)24-21(19)29)14-16-6-4-3-5-7-16/h3-11H,2,12-14,23H2,1H3,(H,24,29,30)