6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N4-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N4-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N4-(5-methylisoxazol-3-yl)pyrimidine-4,5-diamine CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N4-(5-methyl-3-isoxazolyl)pyrimidine-4,5-diamine IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-(4-piperonylpiperazino)pyrimidin-4-yl]-(5-methylisoxazol-3-yl)amine Formula: C20H23N7O3 MolecularWeight: 409.44172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC2=NC=NC(=C2N)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC(=NO1)NC2=NC=NC(=C2N)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H23N7O3/c1-13-8-17(25-30-13)24-19-18(21)20(23-11-22-19)27-6-4-26(5-7-27)10-14-2-3-15-16(9-14)29-12-28-15/h2-3,8-9,11H,4-7,10,12,21H2,1H3,(H,22,23,24,25)