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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)N

Isomeric SMILES

CC1CCCN(C1)C2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)N

InChI

InChI=1S/C18H23N5O2/c1-12-3-2-6-23(9-12)18-16(19)17(21-10-22-18)20-8-13-4-5-14-15(7-13)25-11-24-14/h4-5,7,10,12H,2-3,6,8-9,11,19H2,1H3,(H,20,21,22)