N4-(1,3-benzodioxol-5-ylmethyl)-N6-[2-(cyclohexen-1-yl)ethyl]pyrimidine-4,5,6-triamine

Systemtic Name: N4-(1,3-benzodioxol-5-ylmethyl)-N6-[2-(cyclohexen-1-yl)ethyl]pyrimidine-4,5,6-triamine Openeye Name: N4-(1,3-benzodioxol-5-ylmethyl)-N6-[2-(cyclohexen-1-yl)ethyl]pyrimidine-4,5,6-triamine CAS Name: N4-(1,3-benzodioxol-5-ylmethyl)-N6-[2-(1-cyclohexenyl)ethyl]pyrimidine-4,5,6-triamine IUPAC Name: 4-N-(1,3-benzodioxol-5-ylmethyl)-6-N-[2-(cyclohexen-1-yl)ethyl]pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-[2-(cyclohexen-1-yl)ethylamino]pyrimidin-4-yl]-piperonyl-amine Formula: C20H25N5O2 MolecularWeight: 367.4448

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC2=NC=NC(=C2N)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCC(=CC1)CCNC2=NC=NC(=C2N)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H25N5O2/c21-18-19(22-9-8-14-4-2-1-3-5-14)24-12-25-20(18)23-11-15-6-7-16-17(10-15)27-13-26-16/h4,6-7,10,12H,1-3,5,8-9,11,13,21H2,(H2,22,23,24,25)