N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-2-(azepan-1-ium-1-yl)-N-methyl-ethanamide

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-2-(azepan-1-ium-1-yl)-N-methyl-ethanamide Openeye Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-2-(azepan-1-ium-1-yl)-N-methyl-acetamide CAS Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-2-(1-azepan-1-iumyl)-N-methylacetamide IUPAC Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(azepan-1-ium-1-yl)-N-methylacetamide Traditional Name: N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-2-(azepan-1-ium-1-yl)-N-methyl-acetamide Formula: C20H28N5O3+ MolecularWeight: 386.46802

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C[NH+]3CCCCCC3

Isomeric SMILES

CN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C[NH+]3CCCCCC3

InChI

InChI=1S/C20H27N5O3/c1-23(16(26)14-24-11-7-2-3-8-12-24)17-18(21)25(20(28)22-19(17)27)13-15-9-5-4-6-10-15/h4-6,9-10H,2-3,7-8,11-14,21H2,1H3,(H,22,27,28)/p+1