N4-(1,3-benzodioxol-5-ylmethyl)-6-(2-methylpiperidin-1-yl)pyrimidine-4,5-diamine

Systemtic Name: N4-(1,3-benzodioxol-5-ylmethyl)-6-(2-methylpiperidin-1-yl)pyrimidine-4,5-diamine Openeye Name: N4-(1,3-benzodioxol-5-ylmethyl)-6-(2-methyl-1-piperidyl)pyrimidine-4,5-diamine CAS Name: N4-(1,3-benzodioxol-5-ylmethyl)-6-(2-methyl-1-piperidinyl)pyrimidine-4,5-diamine IUPAC Name: 4-N-(1,3-benzodioxol-5-ylmethyl)-6-(2-methylpiperidin-1-yl)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-(2-methylpiperidino)pyrimidin-4-yl]-piperonyl-amine Formula: C18H23N5O2 MolecularWeight: 341.40752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)N

Isomeric SMILES

CC1CCCCN1C2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)N

InChI

InChI=1S/C18H23N5O2/c1-12-4-2-3-7-23(12)18-16(19)17(21-10-22-18)20-9-13-5-6-14-15(8-13)25-11-24-14/h5-6,8,10,12H,2-4,7,9,11,19H2,1H3,(H,20,21,22)