[2-[[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-butyl-amino]-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-[[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-butyl-amino]-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-[(6-amino-2,4-dioxo-1-propyl-pyrimidin-5-yl)-butyl-amino]-2-oxo-ethyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-[(6-amino-2,4-dioxo-1-propyl-5-pyrimidinyl)-butylamino]-2-oxoethyl] ester IUPAC Name: [2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-[(6-amino-2,4-diketo-1-propyl-pyrimidin-5-yl)-butyl-amino]-2-keto-ethyl] ester Formula: C21H26N4O7 MolecularWeight: 446.45374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)COC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)COC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H26N4O7/c1-3-5-9-24(17-18(22)25(8-4-2)21(29)23-19(17)27)16(26)11-30-20(28)13-6-7-14-15(10-13)32-12-31-14/h6-7,10H,3-5,8-9,11-12,22H2,1-2H3,(H,23,27,29)