diethyl 2-[6-[3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-4-methoxycarbonyl-piperazin-1-yl]-2-imidazol-1-yl-pyrimidin-4-yl]propanedioate

Systemtic Name: diethyl 2-[6-[3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-4-methoxycarbonyl-piperazin-1-yl]-2-imidazol-1-yl-pyrimidin-4-yl]propanedioate Openeye Name: diethyl 2-[6-[3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-4-methoxycarbonyl-piperazin-1-yl]-2-imidazol-1-yl-pyrimidin-4-yl]propanedioate CAS Name: 2-[6-[3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-4-methoxycarbonyl-1-piperazinyl]-2-(1-imidazolyl)-4-pyrimidinyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[6-[3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-4-methoxycarbonylpiperazin-1-yl]-2-imidazol-1-ylpyrimidin-4-yl]propanedioate Traditional Name: 2-[6-[4-carbomethoxy-3-[2-keto-2-(piperonylamino)ethyl]piperazino]-2-imidazol-1-yl-pyrimidin-4-yl]malonic acid diethyl ester Formula: C30H35N7O9 MolecularWeight: 637.6404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC(=NC(=N1)N2C=CN=C2)N3CCN(C(C3)CC(=O)NCC4=CC5=C(C=C4)OCO5)C(=O)OC)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C1=CC(=NC(=N1)N2C=CN=C2)N3CCN(C(C3)CC(=O)NCC4=CC5=C(C=C4)OCO5)C(=O)OC)C(=O)OCC

InChI

InChI=1S/C30H35N7O9/c1-4-43-27(39)26(28(40)44-5-2)21-14-24(34-29(33-21)36-9-8-31-17-36)35-10-11-37(30(41)42-3)20(16-35)13-25(38)32-15-19-6-7-22-23(12-19)46-18-45-22/h6-9,12,14,17,20,26H,4-5,10-11,13,15-16,18H2,1-3H3,(H,32,38)