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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)N

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)N

InChI

InChI=1S/C18H23N5O2/c19-16-17(20-10-13-5-6-14-15(9-13)25-12-24-14)21-11-22-18(16)23-7-3-1-2-4-8-23/h5-6,9,11H,1-4,7-8,10,12,19H2,(H,20,21,22)