N-(1,3-benzodioxol-5-ylmethyl)-2-[4-carbamimidoyl-1-(2-imidazol-1-ylpyrimidin-4-yl)piperazin-2-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-carbamimidoyl-1-(2-imidazol-1-ylpyrimidin-4-yl)piperazin-2-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-carbamimidoyl-1-(2-imidazol-1-ylpyrimidin-4-yl)piperazin-2-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-carbamimidoyl-1-[2-(1-imidazolyl)-4-pyrimidinyl]-2-piperazinyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-carbamimidoyl-1-(2-imidazol-1-ylpyrimidin-4-yl)piperazin-2-yl]acetamide Traditional Name: 2-[4-amidino-1-(2-imidazol-1-ylpyrimidin-4-yl)piperazin-2-yl]-N-piperonyl-acetamide Formula: C22H25N9O3 MolecularWeight: 463.4924

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1C(=N)N)CC(=O)NCC2=CC3=C(C=C2)OCO3)C4=NC(=NC=C4)N5C=CN=C5

Isomeric SMILES

C1CN(C(CN1C(=N)N)CC(=O)NCC2=CC3=C(C=C2)OCO3)C4=NC(=NC=C4)N5C=CN=C5

InChI

InChI=1S/C22H25N9O3/c23-21(24)29-7-8-31(19-3-4-26-22(28-19)30-6-5-25-13-30)16(12-29)10-20(32)27-11-15-1-2-17-18(9-15)34-14-33-17/h1-6,9,13,16H,7-8,10-12,14H2,(H3,23,24)(H,27,32)