2-(1,3-benzodioxol-5-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine CAS Name: 2-(1,3-benzodioxol-5-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-pyrimidinamine IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine Traditional Name: [2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]-[2-(5-methoxy-1H-indol-3-yl)ethyl]amine Formula: C22H20N4O3 MolecularWeight: 388.4192

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC=C2CCNC3=NC(=NC=C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC2=C(C=C1)NC=C2CCNC3=NC(=NC=C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H20N4O3/c1-27-16-3-4-18-17(11-16)15(12-25-18)6-8-23-21-7-9-24-22(26-21)14-2-5-19-20(10-14)29-13-28-19/h2-5,7,9-12,25H,6,8,13H2,1H3,(H,23,24,26)