N4-(1,3-benzodioxol-5-ylmethyl)-6-(4-chloranyl-3-methyl-phenoxy)pyrimidine-4,5-diamine

Systemtic Name: N4-(1,3-benzodioxol-5-ylmethyl)-6-(4-chloranyl-3-methyl-phenoxy)pyrimidine-4,5-diamine Openeye Name: N4-(1,3-benzodioxol-5-ylmethyl)-6-(4-chloro-3-methyl-phenoxy)pyrimidine-4,5-diamine CAS Name: N4-(1,3-benzodioxol-5-ylmethyl)-6-(4-chloro-3-methylphenoxy)pyrimidine-4,5-diamine IUPAC Name: 4-N-(1,3-benzodioxol-5-ylmethyl)-6-(4-chloro-3-methylphenoxy)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-(4-chloro-3-methyl-phenoxy)pyrimidin-4-yl]-piperonyl-amine Formula: C19H17ClN4O3 MolecularWeight: 384.81628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=NC=NC(=C2N)NCC3=CC4=C(C=C3)OCO4)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=NC=NC(=C2N)NCC3=CC4=C(C=C3)OCO4)Cl

InChI

InChI=1S/C19H17ClN4O3/c1-11-6-13(3-4-14(11)20)27-19-17(21)18(23-9-24-19)22-8-12-2-5-15-16(7-12)26-10-25-15/h2-7,9H,8,10,21H2,1H3,(H,22,23,24)