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

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-ethyl-2-(4-methylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-ethyl-2-(4-methylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-N-ethyl-2-(4-methyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-methylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-N-ethyl-2-(4-methylpiperazin-1-ium-1-yl)acetamide Formula: C20H29N6O3+ MolecularWeight: 401.48266

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C[NH+]3CCN(CC3)C

Isomeric SMILES

CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C[NH+]3CCN(CC3)C

InChI

InChI=1S/C20H28N6O3/c1-3-25(16(27)14-24-11-9-23(2)10-12-24)17-18(21)26(20(29)22-19(17)28)13-15-7-5-4-6-8-15/h4-8H,3,9-14,21H2,1-2H3,(H,22,28,29)/p+1