N-(1,3-benzodioxol-5-ylmethyl)-N'-[2-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)propan-2-yl]ethane-1,2-diamine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N'-[2-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)propan-2-yl]ethane-1,2-diamine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N'-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-methyl-ethyl]ethane-1,2-diamine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N'-[2-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]propan-2-yl]ethane-1,2-diamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N'-[2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)propan-2-yl]ethane-1,2-diamine Traditional Name: [1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-methyl-ethyl]-[2-(piperonylamino)ethyl]amine Formula: C21H26N6O2 MolecularWeight: 394.47014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)C(C)(C)NCCNCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)C(C)(C)NCCNCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H26N6O2/c1-15-10-19(26-20(25-15)27-9-8-23-13-27)21(2,3)24-7-6-22-12-16-4-5-17-18(11-16)29-14-28-17/h4-5,8-11,13,22,24H,6-7,12,14H2,1-3H3