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

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-(2-methoxyethyl)-2-pyrrolidin-1-ium-1-yl-ethanamide Openeye Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-(2-methoxyethyl)-2-pyrrolidin-1-ium-1-yl-acetamide CAS Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-N-(2-methoxyethyl)-2-(1-pyrrolidin-1-iumyl)acetamide IUPAC Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-pyrrolidin-1-ium-1-ylacetamide Traditional Name: N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-N-(2-methoxyethyl)-2-pyrrolidin-1-ium-1-yl-acetamide Formula: C20H28N5O4+ MolecularWeight: 402.46742

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C[NH+]3CCCC3

Isomeric SMILES

COCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C[NH+]3CCCC3

InChI

InChI=1S/C20H27N5O4/c1-29-12-11-24(16(26)14-23-9-5-6-10-23)17-18(21)25(20(28)22-19(17)27)13-15-7-3-2-4-8-15/h2-4,7-8H,5-6,9-14,21H2,1H3,(H,22,27,28)/p+1