4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-chloranyl-pyrimidin-5-amine

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-chloranyl-pyrimidin-5-amine Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-chloro-pyrimidin-5-amine CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-6-chloro-5-pyrimidinamine IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-chloropyrimidin-5-amine Traditional Name: [4-chloro-6-(4-piperonylpiperazino)pyrimidin-5-yl]amine Formula: C16H18ClN5O2 MolecularWeight: 347.79942

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)Cl)N

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)Cl)N

InChI

InChI=1S/C16H18ClN5O2/c17-15-14(18)16(20-9-19-15)22-5-3-21(4-6-22)8-11-1-2-12-13(7-11)24-10-23-12/h1-2,7,9H,3-6,8,10,18H2